1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane

C36H79N5 — CID 158280327

IUPAC1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane
SMILESC.CC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.C9H19N.C7H15N.CH4/c1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)8-5-4-6-8;/h9H,5-8H2,1-4H3;5-8H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3;1H4
InChIKeyGKDBTMSHHKMBEU-UHFFFAOYSA-N
MW582.06 g/mol
LogP7.95
Rot. Bonds

About 1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane

1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane (PubChem CID 158280327) has the molecular formula C36H79N5 and a molecular weight of 582.06 g/mol. Its IUPAC name is 1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane.

Molecular Properties

Compound Name1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane
PubChem CID158280327
Molecular FormulaC36H79N5
Molecular Weight582.06 g/mol
Exact Mass581.63
IUPAC Name1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane
SMILESC.CC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.C9H19N.C7H15N.CH4/c1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)8-5-4-6-8;/h9H,5-8H2,1-4H3;5-8H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3;1H4
InChIKeyGKDBTMSHHKMBEU-UHFFFAOYSA-N
XLogP7.95
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.06
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
1-tert-butyl-4,7,10-trimethyl-1,4,7,10-tetrazacyclododecane;methane;zinc
CID 162271168
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
CID 158521892
1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine
CID 161180929
1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660
1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane
CID 159248645
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
methane;1-methylazepane;1-methylazetidine;methylcyclobutane;bis(methylcyclohexane);tris(1-methylpiperidine);1-methylpyrrolidine
CID 159749342
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane?
The IUPAC name of 1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane (CID 158280327) is 1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane.
What is the SMILES notation for 1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane?
The canonical SMILES for 1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane is C.CC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane?
The InChIKey is GKDBTMSHHKMBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.C9H19N.C7H15N.CH4/c1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)8-5-4-6-8;/h9H,5-8H2,1-4H3;5-8H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3;1H4.
What are the key properties of 1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane?
1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane has a molecular weight of 582.06 g/mol, XLogP of 7.95, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane is sourced from PubChem (CID 158280327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).