[2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol

C13H27NO — CID 115905963

IUPAC[2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol
SMILESCCCC(CC)NC1CCCC1(C)CO
InChIInChI=1S/C13H27NO/c1-4-7-11(5-2)14-12-8-6-9-13(12,3)10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeySZMWBSGUWTWBGJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds6

About [2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol

[2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol (PubChem CID 115905963) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol
PubChem CID115905963
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol
SMILESCCCC(CC)NC1CCCC1(C)CO
InChIInChI=1S/C13H27NO/c1-4-7-11(5-2)14-12-8-6-9-13(12,3)10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeySZMWBSGUWTWBGJ-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(heptan-3-ylamino)-1-methylcyclopentyl]methanol
CID 115724050
[2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol
CID 115724046
3-[(2,2-dimethylcyclopentyl)amino]pentan-1-ol
CID 115723124
N-hexan-3-ylspiro[3.5]nonan-3-amine
CID 102951793
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
[2-(2,2-dimethylpropylamino)-1-methylcyclopentyl]methanol
CID 115655345
N-hexan-3-ylcyclopropanamine
CID 103920845
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
[1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol
CID 115879388
2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide
CID 79861523
3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine
CID 65169180
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966

Frequently Asked Questions

What is the IUPAC name of [2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol?
The IUPAC name of [2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol (CID 115905963) is [2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol is CCCC(CC)NC1CCCC1(C)CO.
What is the InChIKey of [2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol?
The InChIKey is SZMWBSGUWTWBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-11(5-2)14-12-8-6-9-13(12,3)10-15/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of [2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol?
[2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol is sourced from PubChem (CID 115905963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).