1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine

C68H156N8 — CID 159843744

IUPAC1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine
SMILESCC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCCNCC1.CC(C)(C)N1CCNCC1.CC(C)N1CCCC1.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/C10H21N.C9H20N2.C9H19N.C8H18N2.2C7H15N.6C3H8/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)11-7-4-5-10-6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-7(2,3)8-5-4-6-8;1-7(2)8-5-3-4-6-8;6*1-3-2/h4-9H2,1-3H3;10H,4-8H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-6H2,1-3H3;7H,3-6H2,1-2H3;6*3H2,1-2H3
InChIKeyNPAGLSPVRJKYNE-UHFFFAOYSA-N
MW1086.05 g/mol
LogP18.18
Rot. Bonds1

About 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine

1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine (PubChem CID 159843744) has the molecular formula C68H156N8 and a molecular weight of 1086.05 g/mol. Its IUPAC name is 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine
PubChem CID159843744
Molecular FormulaC68H156N8
Molecular Weight1086.05 g/mol
Exact Mass1085.25
IUPAC Name1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine
SMILESCC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCCNCC1.CC(C)(C)N1CCNCC1.CC(C)N1CCCC1.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/C10H21N.C9H20N2.C9H19N.C8H18N2.2C7H15N.6C3H8/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)11-7-4-5-10-6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-7(2,3)8-5-4-6-8;1-7(2)8-5-3-4-6-8;6*1-3-2/h4-9H2,1-3H3;10H,4-8H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-6H2,1-3H3;7H,3-6H2,1-2H3;6*3H2,1-2H3
InChIKeyNPAGLSPVRJKYNE-UHFFFAOYSA-N
XLogP18.18
TPSA43.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.05
LogP ≤ 518.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine with MolForge

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Related Compounds

1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
CID 155077597
1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
azetidine;1-tert-butylpyrrolidine;2-methylpropane
CID 177188301
1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine
CID 161180929
methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157479144
1-propan-2-ylazepane;1-propan-2-ylazetidine;1-propan-2-ylazocane;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158844378
1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane
CID 157482499
1-tert-butylpiperazine;ethane;methane
CID 161367706
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
morpholine;1-propan-2-ylpiperidine
CID 172575779

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine (CID 159843744) is 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine is CC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCCNCC1.CC(C)(C)N1CCNCC1.CC(C)N1CCCC1.CCC.CCC.CCC.CCC.CCC.CCC.
What is the InChIKey of 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine?
The InChIKey is NPAGLSPVRJKYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.C9H19N.C8H18N2.2C7H15N.6C3H8/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)11-7-4-5-10-6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-7(2,3)8-5-4-6-8;1-7(2)8-5-3-4-6-8;6*1-3-2/h4-9H2,1-3H3;10H,4-8H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-6H2,1-3H3;7H,3-6H2,1-2H3;6*3H2,1-2H3.
What are the key properties of 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine?
1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine has a molecular weight of 1086.05 g/mol, XLogP of 18.18, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine;1-tert-butylpiperidine;propane;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159843744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).