1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine

C15H32N2 — CID 65281081

IUPAC1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)CN1CCCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-5-10-16-14(6-2)13-17-11-7-8-15(3,4)9-12-17/h14,16H,5-13H2,1-4H3
InChIKeyYFWVYSMIHODAOD-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds6

About 1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine

1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine (PubChem CID 65281081) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine
PubChem CID65281081
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)CN1CCCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-5-10-16-14(6-2)13-17-11-7-8-15(3,4)9-12-17/h14,16H,5-13H2,1-4H3
InChIKeyYFWVYSMIHODAOD-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503
1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
CID 65281511
1-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 63468229
1-(8-azaspiro[4.5]decan-8-yl)-N-propylpentan-2-amine
CID 63469319
6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
CID 65286566
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
1-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutan-2-amine
CID 62989010
1-(4,4-diethylpiperidin-1-yl)-N-propylpentan-2-amine
CID 63468589
3-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)propan-1-ol
CID 64791856
1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 107391840
1-cyclohexyl-2-(4,4-dimethylazepan-1-yl)-N-ethylethanamine
CID 104746542
1-(2,2-dimethoxyethyl)-4,4-dimethylazepane
CID 66222358

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine (CID 65281081) is 1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine is CCCNC(CC)CN1CCCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine?
The InChIKey is YFWVYSMIHODAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-10-16-14(6-2)13-17-11-7-8-15(3,4)9-12-17/h14,16H,5-13H2,1-4H3.
What are the key properties of 1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine?
1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylazepan-1-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 65281081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).