1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol

C16H32N2O — CID 65115830

IUPAC1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCCN1CCCC(NCC2(O)CCCC(C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-3-18-10-5-7-15(8-11-18)17-13-16(19)9-4-6-14(2)12-16/h14-15,17,19H,3-13H2,1-2H3
InChIKeyMKUHAPGDUQDTRO-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds4

About 1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65115830) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65115830
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCCN1CCCC(NCC2(O)CCCC(C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-3-18-10-5-7-15(8-11-18)17-13-16(19)9-4-6-14(2)12-16/h14-15,17,19H,3-13H2,1-2H3
InChIKeyMKUHAPGDUQDTRO-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol with MolForge

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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]cyclohexan-1-ol
CID 65107383
3-methyl-1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65117349
4-[(cyclopropylamino)methyl]-1-ethylpiperidin-4-ol
CID 39240029
3-methyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116501
3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol
CID 65116922
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine
CID 105415647
3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 104549990
1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082633
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine
CID 65072853
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 65115830) is 1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol is CCN1CCCC(NCC2(O)CCCC(C)C2)CC1.
What is the InChIKey of 1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is MKUHAPGDUQDTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-18-10-5-7-15(8-11-18)17-13-16(19)9-4-6-14(2)12-16/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of 1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65115830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).