5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol

C14H29NO — CID 107270331

IUPAC5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol
SMILESCC(O)CCCNC1CCC(C)(C)CC1C
InChIInChI=1S/C14H29NO/c1-11-10-14(3,4)8-7-13(11)15-9-5-6-12(2)16/h11-13,15-16H,5-10H2,1-4H3
InChIKeySTHNIYVHNCIEGJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds5

About 5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol

5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol (PubChem CID 107270331) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol
PubChem CID107270331
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol
SMILESCC(O)CCCNC1CCC(C)(C)CC1C
InChIInChI=1S/C14H29NO/c1-11-10-14(3,4)8-7-13(11)15-9-5-6-12(2)16/h11-13,15-16H,5-10H2,1-4H3
InChIKeySTHNIYVHNCIEGJ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 81300974
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine
CID 103786997
N-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]propane-1-sulfonamide
CID 86799939
2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 81320617
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
CID 103789174
2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide
CID 81320465
4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol
CID 64913852
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321267
5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol
CID 107270228

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol?
The IUPAC name of 5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol (CID 107270331) is 5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol is CC(O)CCCNC1CCC(C)(C)CC1C.
What is the InChIKey of 5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol?
The InChIKey is STHNIYVHNCIEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11-10-14(3,4)8-7-13(11)15-9-5-6-12(2)16/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol?
5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol is sourced from PubChem (CID 107270331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).