2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol

C14H29NO — CID 115894897

IUPAC2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol
SMILESCCC(NCCCC1CCCC1O)C(C)C
InChIInChI=1S/C14H29NO/c1-4-13(11(2)3)15-10-6-8-12-7-5-9-14(12)16/h11-16H,4-10H2,1-3H3
InChIKeyDFAMQUGCTGNXOH-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds7

About 2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol

2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol (PubChem CID 115894897) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol
PubChem CID115894897
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol
SMILESCCC(NCCCC1CCCC1O)C(C)C
InChIInChI=1S/C14H29NO/c1-4-13(11(2)3)15-10-6-8-12-7-5-9-14(12)16/h11-16H,4-10H2,1-3H3
InChIKeyDFAMQUGCTGNXOH-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-methylbutan-2-ylamino)propyl]cyclopentan-1-ol
CID 115894901
2-[3-(4-methoxybutan-2-ylamino)propyl]cyclopentan-1-ol
CID 115894882
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine
CID 64502569
(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide
CID 99856024
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
N-(3-chloropropyl)-2-methylpentan-3-amine
CID 88742060
N-[2-(2-hydroxycyclohexyl)ethyl]-2,3-dimethylbutanamide
CID 165488206
hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol
CID 174785883
2-hydroxy-N-[3-(2-hydroxycyclohexyl)propyl]cyclopentane-1-carboxamide
CID 110016444

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol?
The IUPAC name of 2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol (CID 115894897) is 2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol is CCC(NCCCC1CCCC1O)C(C)C.
What is the InChIKey of 2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol?
The InChIKey is DFAMQUGCTGNXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-13(11(2)3)15-10-6-8-12-7-5-9-14(12)16/h11-16H,4-10H2,1-3H3.
What are the key properties of 2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol?
2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpentan-3-ylamino)propyl]cyclopentan-1-ol is sourced from PubChem (CID 115894897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).