5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol

C15H31NO — CID 113368941

IUPAC5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC1CCCC(NCC(C)(C)CCCO)C1C
InChIInChI=1S/C15H31NO/c1-12-7-5-8-14(13(12)2)16-11-15(3,4)9-6-10-17/h12-14,16-17H,5-11H2,1-4H3
InChIKeyPRVDKXGKXQWMLZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds6

About 5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol

5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 113368941) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
PubChem CID113368941
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC1CCCC(NCC(C)(C)CCCO)C1C
InChIInChI=1S/C15H31NO/c1-12-7-5-8-14(13(12)2)16-11-15(3,4)9-6-10-17/h12-14,16-17H,5-11H2,1-4H3
InChIKeyPRVDKXGKXQWMLZ-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
CID 106147285
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
1-[(2,3-dimethylcyclohexyl)amino]-2,4-dimethylpentan-2-ol
CID 66180147
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
N,N,2,2-tetramethyl-N'-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923102
6-[(2-methylcyclopentyl)amino]hexan-1-ol
CID 115906759
4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 102609773
4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol
CID 135393428
2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine
CID 64762295
4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol
CID 106147029
N'-(2,3-dimethylcyclohexyl)methanediamine
CID 143582027
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol (CID 113368941) is 5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol is CC1CCCC(NCC(C)(C)CCCO)C1C.
What is the InChIKey of 5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is PRVDKXGKXQWMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12-7-5-8-14(13(12)2)16-11-15(3,4)9-6-10-17/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol?
5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 113368941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).