(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol

C14H29NO — CID 103871740

IUPAC(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol
SMILESCC(CCC1CCCCC1)N[C@H](C)CCO
InChIInChI=1S/C14H29NO/c1-12(15-13(2)10-11-16)8-9-14-6-4-3-5-7-14/h12-16H,3-11H2,1-2H3/t12?,13-/m1/s1
InChIKeyVSJIHZRNXKSCLR-ZGTCLIOFSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds7

About (3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol

(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol (PubChem CID 103871740) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol
PubChem CID103871740
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol
SMILESCC(CCC1CCCCC1)N[C@H](C)CCO
InChIInChI=1S/C14H29NO/c1-12(15-13(2)10-11-16)8-9-14-6-4-3-5-7-14/h12-16H,3-11H2,1-2H3/t12?,13-/m1/s1
InChIKeyVSJIHZRNXKSCLR-ZGTCLIOFSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-cyclohexylbutan-2-ylamino)propan-1-ol
CID 103788986
(3R)-3-(2-cycloheptylethylamino)butan-1-ol
CID 28957329
3-(1-cyclobutylpropan-2-ylamino)butan-1-ol
CID 115722186
4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol
CID 115725107
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane
CID 145163045
(3R)-3-(cyclopentylmethylamino)butan-1-ol
CID 103923917
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
3-(2-cyclopropylethylamino)butan-1-ol
CID 83178015
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
(3R)-3-(1-cyclopropylethylamino)butan-1-ol
CID 103871785
1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
CID 109482303

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol?
The IUPAC name of (3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol (CID 103871740) is (3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol.
What is the SMILES notation for (3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol?
The canonical SMILES for (3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol is CC(CCC1CCCCC1)N[C@H](C)CCO.
What is the InChIKey of (3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol?
The InChIKey is VSJIHZRNXKSCLR-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(15-13(2)10-11-16)8-9-14-6-4-3-5-7-14/h12-16H,3-11H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of (3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol?
(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol is sourced from PubChem (CID 103871740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).