(6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol

C18H37NO — CID 783876

IUPAC(6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol
SMILESC[C@@H](CCCC(C)(C)O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-14(8-7-13-18(5,6)20)19-16-11-9-15(10-12-16)17(2,3)4/h14-16,19-20H,7-13H2,1-6H3/t14-,15?,16?/m0/s1
InChIKeyPHNQJFXWUYGWRC-FHERZECASA-N
MW283.50 g/mol
LogP4.51
Rot. Bonds6

About (6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol

(6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol (PubChem CID 783876) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is (6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol.

Molecular Properties

Compound Name(6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol
PubChem CID783876
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name(6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol
SMILESC[C@@H](CCCC(C)(C)O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-14(8-7-13-18(5,6)20)19-16-11-9-15(10-12-16)17(2,3)4/h14-16,19-20H,7-13H2,1-6H3/t14-,15?,16?/m0/s1
InChIKeyPHNQJFXWUYGWRC-FHERZECASA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-6-[(3-methylcyclohexyl)amino]-2-heptanol
CID 2846576
6-[(3,3-Dimethylcyclohexyl)amino]-2-methyl-2-heptanol
CID 45929523
2-[4-(Ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 154457891
4-(8,8-Dimethylazonan-2-yl)-1-methylcyclononan-1-ol
CID 91119558
2-[4-(Tert-butylamino)cyclohexyl]propan-2-ol
CID 117682059
2-[4-(Methylamino)cyclohexyl]propan-2-ol
CID 117683879
1-[4-(Methylamino)cyclohexyl]cyclopropan-1-ol
CID 118473902
2-[4-(Propan-2-ylamino)cyclohexyl]propan-2-ol
CID 134166293
(2R)-2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]-4,4-dimethylpentan-1-ol
CID 163242928
2-[4-(Ethylamino)cyclohexyl]propan-2-ol
CID 163504147
1-[4-(Propan-2-ylamino)cyclohexyl]cyclopropan-1-ol
CID 167319823
(6R)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol
CID 783877

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol?
The IUPAC name of (6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol (CID 783876) is (6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol.
What is the SMILES notation for (6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol?
The canonical SMILES for (6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol is C[C@@H](CCCC(C)(C)O)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of (6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol?
The InChIKey is PHNQJFXWUYGWRC-FHERZECASA-N. The full InChI is InChI=1S/C18H37NO/c1-14(8-7-13-18(5,6)20)19-16-11-9-15(10-12-16)17(2,3)4/h14-16,19-20H,7-13H2,1-6H3/t14-,15?,16?/m0/s1.
What are the key properties of (6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol?
(6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol has a molecular weight of 283.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol is sourced from PubChem (CID 783876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).