2-(heptan-4-ylamino)cyclopentan-1-ol

C12H25NO — CID 115677217

IUPAC2-(heptan-4-ylamino)cyclopentan-1-ol
SMILESCCCC(CCC)NC1CCCC1O
InChIInChI=1S/C12H25NO/c1-3-6-10(7-4-2)13-11-8-5-9-12(11)14/h10-14H,3-9H2,1-2H3
InChIKeyGDPHEXRQRAMQFR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.46
Rot. Bonds6

About 2-(heptan-4-ylamino)cyclopentan-1-ol

2-(heptan-4-ylamino)cyclopentan-1-ol (PubChem CID 115677217) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(heptan-4-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(heptan-4-ylamino)cyclopentan-1-ol
PubChem CID115677217
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(heptan-4-ylamino)cyclopentan-1-ol
SMILESCCCC(CCC)NC1CCCC1O
InChIInChI=1S/C12H25NO/c1-3-6-10(7-4-2)13-11-8-5-9-12(11)14/h10-14H,3-9H2,1-2H3
InChIKeyGDPHEXRQRAMQFR-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 60713643
trans-(1S,2S)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317537
trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol
CID 104926547
cis-(1S,2R)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317535
trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 102733097
N-heptan-4-yl-2-methylcyclopentan-1-amine
CID 63277449
trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
CID 102731727
N-heptan-4-yl-2-methylcyclohexan-1-amine
CID 43097186
N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine
CID 103729880
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
4-(heptan-4-ylamino)oxolan-3-ol
CID 115923440
trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol
CID 106159498

Frequently Asked Questions

What is the IUPAC name of 2-(heptan-4-ylamino)cyclopentan-1-ol?
The IUPAC name of 2-(heptan-4-ylamino)cyclopentan-1-ol (CID 115677217) is 2-(heptan-4-ylamino)cyclopentan-1-ol.
What is the SMILES notation for 2-(heptan-4-ylamino)cyclopentan-1-ol?
The canonical SMILES for 2-(heptan-4-ylamino)cyclopentan-1-ol is CCCC(CCC)NC1CCCC1O.
What is the InChIKey of 2-(heptan-4-ylamino)cyclopentan-1-ol?
The InChIKey is GDPHEXRQRAMQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-6-10(7-4-2)13-11-8-5-9-12(11)14/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-(heptan-4-ylamino)cyclopentan-1-ol?
2-(heptan-4-ylamino)cyclopentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptan-4-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 115677217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).