1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol

C16H32N2O — CID 65107383

IUPAC1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCN1CCCC(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-2-11-18-12-6-7-15(8-13-18)17-14-16(19)9-4-3-5-10-16/h15,17,19H,2-14H2,1H3
InChIKeyGWEKQFNZSWGMEI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.54
Rot. Bonds5

About 1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol

1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65107383) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65107383
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCN1CCCC(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-2-11-18-12-6-7-15(8-13-18)17-14-16(19)9-4-3-5-10-16/h15,17,19H,2-14H2,1H3
InChIKeyGWEKQFNZSWGMEI-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65115554
[1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965937
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol
CID 81130595
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 81412863
N-[(1-methylcyclopentyl)methyl]-1-propylpiperidin-4-amine
CID 63822212
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115358675
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65115830
N-methyl-1-propylazepan-4-amine
CID 65072873

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol (CID 65107383) is 1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol is CCCN1CCCC(NCC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is GWEKQFNZSWGMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-11-18-12-6-7-15(8-13-18)17-14-16(19)9-4-3-5-10-16/h15,17,19H,2-14H2,1H3.
What are the key properties of 1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol?
1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.54, 5 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]cyclohexan-1-ol is sourced from PubChem (CID 65107383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).