[1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol

C16H32N2O — CID 79571817

IUPAC[1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol
SMILESCC1(C)CCCN(CCC2CCCC2(N)CO)CC1
InChIInChI=1S/C16H32N2O/c1-15(2)7-4-10-18(12-9-15)11-6-14-5-3-8-16(14,17)13-19/h14,19H,3-13,17H2,1-2H3
InChIKeyMJHOCLKEGUSLCQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.38
Rot. Bonds4

About [1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol

[1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol (PubChem CID 79571817) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol
PubChem CID79571817
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol
SMILESCC1(C)CCCN(CCC2CCCC2(N)CO)CC1
InChIInChI=1S/C16H32N2O/c1-15(2)7-4-10-18(12-9-15)11-6-14-5-3-8-16(14,17)13-19/h14,19H,3-13,17H2,1-2H3
InChIKeyMJHOCLKEGUSLCQ-UHFFFAOYSA-N
XLogP2.38
TPSA49.49 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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-2-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 79571982
[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571069
[1-amino-2-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclopentyl]methanol
CID 114540899
1-(aminomethyl)-2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79587379
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564307
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564232
[1-amino-2-[2-(4,4-dimethylcyclohexyl)oxyethyl]cyclopentyl]methanol
CID 114342765
[1-amino-2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopentyl]methanol
CID 79571094
2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79564242
[1-amino-2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]cyclopentyl]methanol
CID 79571172
[1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentyl]methanol
CID 79581671
4,4-dimethyl-1-pentylazepane
CID 18723213

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol (CID 79571817) is [1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol is CC1(C)CCCN(CCC2CCCC2(N)CO)CC1.
What is the InChIKey of [1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol?
The InChIKey is MJHOCLKEGUSLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2)7-4-10-18(12-9-15)11-6-14-5-3-8-16(14,17)13-19/h14,19H,3-13,17H2,1-2H3.
What are the key properties of [1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol?
[1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79571817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).