1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine

C17H38N4 — CID 158347014

IUPAC1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
SMILESCC(C)(C)N1CCCNCC1.CC(C)(C)N1CCNCC1
InChIInChI=1S/C9H20N2.C8H18N2/c1-9(2,3)11-7-4-5-10-6-8-11;1-8(2,3)10-6-4-9-5-7-10/h10H,4-8H2,1-3H3;9H,4-7H2,1-3H3
InChIKeyGRVXBHDAFJZYMU-UHFFFAOYSA-N
MW298.52 g/mol
LogP1.77
Rot. Bonds

About 1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine

1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine (PubChem CID 158347014) has the molecular formula C17H38N4 and a molecular weight of 298.52 g/mol. Its IUPAC name is 1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
PubChem CID158347014
Molecular FormulaC17H38N4
Molecular Weight298.52 g/mol
Exact Mass298.31
IUPAC Name1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
SMILESCC(C)(C)N1CCCNCC1.CC(C)(C)N1CCNCC1
InChIInChI=1S/C9H20N2.C8H18N2/c1-9(2,3)11-7-4-5-10-6-8-11;1-8(2,3)10-6-4-9-5-7-10/h10H,4-8H2,1-3H3;9H,4-7H2,1-3H3
InChIKeyGRVXBHDAFJZYMU-UHFFFAOYSA-N
XLogP1.77
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
CID 155077597
1-tert-butylpiperazine;ethane;methane
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azetidine;1-tert-butylpyrrolidine;2-methylpropane
CID 177188301
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
1-(2-methylhexan-2-yl)-1,4-diazepane
CID 155280442
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611
1-(2-cyclobutylpropan-2-yl)piperazine
CID 116964788
1-(1-tert-butylpyrrolidin-3-yl)-1,4-diazepane
CID 117004540
1-tert-butylpiperidine;4-tert-butylthiomorpholine;methane;piperidine;propane
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine?
The IUPAC name of 1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine (CID 158347014) is 1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine.
What is the SMILES notation for 1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine?
The canonical SMILES for 1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine is CC(C)(C)N1CCCNCC1.CC(C)(C)N1CCNCC1.
What is the InChIKey of 1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine?
The InChIKey is GRVXBHDAFJZYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C8H18N2/c1-9(2,3)11-7-4-5-10-6-8-11;1-8(2,3)10-6-4-9-5-7-10/h10H,4-8H2,1-3H3;9H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine?
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine has a molecular weight of 298.52 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine is sourced from PubChem (CID 158347014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).