1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol

C14H29NO — CID 62624455

IUPAC1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol
SMILESCCN(CCC(O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C14H29NO/c1-5-15(12-8-6-7-9-12)11-10-13(16)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyHCIKEVJCSYHREI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds5

About 1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol

1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol (PubChem CID 62624455) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol
PubChem CID62624455
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol
SMILESCCN(CCC(O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C14H29NO/c1-5-15(12-8-6-7-9-12)11-10-13(16)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyHCIKEVJCSYHREI-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 55098237
1-[cyclopentyl(2-hydroxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624115
N-ethyl-N-(3-methylpentyl)cyclohexanamine
CID 142032540
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624111
1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
CID 62623575
1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
CID 64677718
1-N-cyclopropyl-1-N-ethyl-3-N,4,4-trimethylpentane-1,3-diamine
CID 62624071
methyl 2-amino-4-[cyclopentyl(ethyl)amino]butanoate
CID 63027486
4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol
CID 64795522
N,N-diethylcycloundecanamine
CID 163828609
4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol
CID 64798399
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol (CID 62624455) is 1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol is CCN(CCC(O)C(C)(C)C)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol?
The InChIKey is HCIKEVJCSYHREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-15(12-8-6-7-9-12)11-10-13(16)14(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol?
1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62624455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).