(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol

C13H27NO — CID 97051577

IUPAC(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol
SMILESCCC1CCC(N[C@H](C)CCCO)CC1
InChIInChI=1S/C13H27NO/c1-3-12-6-8-13(9-7-12)14-11(2)5-4-10-15/h11-15H,3-10H2,1-2H3/t11-,12?,13?/m1/s1
InChIKeyFPVZCMATJUFDRI-PNESKVBLSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds6

About (4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol

(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol (PubChem CID 97051577) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol
PubChem CID97051577
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol
SMILESCCC1CCC(N[C@H](C)CCCO)CC1
InChIInChI=1S/C13H27NO/c1-3-12-6-8-13(9-7-12)14-11(2)5-4-10-15/h11-15H,3-10H2,1-2H3/t11-,12?,13?/m1/s1
InChIKeyFPVZCMATJUFDRI-PNESKVBLSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492
[4-(heptan-2-ylamino)cyclohexyl]methanol
CID 103788540
(4R)-4-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]pentan-1-ol
CID 124678440
[4-(5-methylhexan-2-ylamino)cyclohexyl]methanol
CID 103788564
4-(thiolan-3-ylamino)pentan-1-ol
CID 75356498
4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201911
4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
CID 113262654
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol
CID 97051575
4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
CID 103438826
(4R)-4-[[(3R)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852107

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol?
The IUPAC name of (4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol (CID 97051577) is (4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol.
What is the SMILES notation for (4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol?
The canonical SMILES for (4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol is CCC1CCC(N[C@H](C)CCCO)CC1.
What is the InChIKey of (4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol?
The InChIKey is FPVZCMATJUFDRI-PNESKVBLSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-12-6-8-13(9-7-12)14-11(2)5-4-10-15/h11-15H,3-10H2,1-2H3/t11-,12?,13?/m1/s1.
What are the key properties of (4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol?
(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol is sourced from PubChem (CID 97051577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).