[1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol

C17H34N2O — CID 103965937

IUPAC[1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCCCN1CCCC(NCC2(CO)CCCCC2)CC1
InChIInChI=1S/C17H34N2O/c1-2-11-19-12-6-7-16(8-13-19)18-14-17(15-20)9-4-3-5-10-17/h16,18,20H,2-15H2,1H3
InChIKeyXFWPGECCNZVIPP-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds6

About [1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol

[1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 103965937) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID103965937
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCCCN1CCCC(NCC2(CO)CCCCC2)CC1
InChIInChI=1S/C17H34N2O/c1-2-11-19-12-6-7-16(8-13-19)18-14-17(15-20)9-4-3-5-10-17/h16,18,20H,2-15H2,1H3
InChIKeyXFWPGECCNZVIPP-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 81412863
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115358675
1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65107383
4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65115554
N-[(1-methylcyclopentyl)methyl]-1-propylpiperidin-4-amine
CID 63822212
1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone
CID 113293617
N-methyl-1-propylazepan-4-amine
CID 65072873
2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol
CID 65078153
[1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol
CID 81419732
3-methyl-4-[(1-propylazepan-4-yl)amino]butan-1-ol
CID 66089662
4-[(1-propylazepan-4-yl)amino]butanoic acid
CID 65073653
[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81435372

Frequently Asked Questions

What is the IUPAC name of [1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol (CID 103965937) is [1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol is CCCN1CCCC(NCC2(CO)CCCCC2)CC1.
What is the InChIKey of [1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is XFWPGECCNZVIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-2-11-19-12-6-7-16(8-13-19)18-14-17(15-20)9-4-3-5-10-17/h16,18,20H,2-15H2,1H3.
What are the key properties of [1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 282.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).