(4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol

C13H27NO — CID 97051545

IUPAC(4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol
SMILESC[C@@H]1CCC[C@@H](C)C1N[C@@H](C)CCCO
InChIInChI=1S/C13H27NO/c1-10-6-4-7-11(2)13(10)14-12(3)8-5-9-15/h10-15H,4-9H2,1-3H3/t10-,11-,12+/m1/s1
InChIKeyNQLSJXRZZSWZTR-UTUOFQBUSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds5

About (4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol

(4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol (PubChem CID 97051545) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol
PubChem CID97051545
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol
SMILESC[C@@H]1CCC[C@@H](C)C1N[C@@H](C)CCCO
InChIInChI=1S/C13H27NO/c1-10-6-4-7-11(2)13(10)14-12(3)8-5-9-15/h10-15H,4-9H2,1-3H3/t10-,11-,12+/m1/s1
InChIKeyNQLSJXRZZSWZTR-UTUOFQBUSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol with MolForge

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Related Compounds

(2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol
CID 93082955
(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol
CID 124710122
3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115724563
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492
N-(1-methoxypropan-2-yl)-2,6-dimethylcyclohexan-1-amine
CID 13090556
(4R)-4-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]pentan-1-ol
CID 124678440
(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol
CID 97051575
(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol
CID 104980900
(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol
CID 97051577
4-(thiolan-3-ylamino)pentan-1-ol
CID 75356498
(4R)-4-[[(3R)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852107

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol?
The IUPAC name of (4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol (CID 97051545) is (4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol.
What is the SMILES notation for (4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol?
The canonical SMILES for (4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol is C[C@@H]1CCC[C@@H](C)C1N[C@@H](C)CCCO.
What is the InChIKey of (4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol?
The InChIKey is NQLSJXRZZSWZTR-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-6-4-7-11(2)13(10)14-12(3)8-5-9-15/h10-15H,4-9H2,1-3H3/t10-,11-,12+/m1/s1.
What are the key properties of (4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol?
(4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol is sourced from PubChem (CID 97051545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).