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

C17H34N2O — CID 65115554

IUPAC4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCN1CCCC(NCC2(O)CCC(C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-3-11-19-12-4-5-16(8-13-19)18-14-17(20)9-6-15(2)7-10-17/h15-16,18,20H,3-14H2,1-2H3
InChIKeyKUXPSBWJOZQSIF-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds5

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

4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65115554) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65115554
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCN1CCCC(NCC2(O)CCC(C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-3-11-19-12-4-5-16(8-13-19)18-14-17(20)9-6-15(2)7-10-17/h15-16,18,20H,3-14H2,1-2H3
InChIKeyKUXPSBWJOZQSIF-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65107383
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol
CID 81130595
[1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965937
4-methyl-1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 65117458
1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65115830
1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082633
N-[(1-methylcyclopentyl)methyl]-1-propylpiperidin-4-amine
CID 63822212
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115358675
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
N-methyl-1-propylazepan-4-amine
CID 65072873
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 81412863

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol (CID 65115554) is 4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol is CCCN1CCCC(NCC2(O)CCC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KUXPSBWJOZQSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-11-19-12-4-5-16(8-13-19)18-14-17(20)9-6-15(2)7-10-17/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol?
4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).