(3R)-3-(2-cycloheptylethylamino)butan-1-ol

C13H27NO — CID 28957329

IUPAC(3R)-3-(2-cycloheptylethylamino)butan-1-ol
SMILESC[C@H](CCO)NCCC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-12(9-11-15)14-10-8-13-6-4-2-3-5-7-13/h12-15H,2-11H2,1H3/t12-/m1/s1
InChIKeyYORMVZMTYRFDRS-GFCCVEGCSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds6

About (3R)-3-(2-cycloheptylethylamino)butan-1-ol

(3R)-3-(2-cycloheptylethylamino)butan-1-ol (PubChem CID 28957329) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (3R)-3-(2-cycloheptylethylamino)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(2-cycloheptylethylamino)butan-1-ol
PubChem CID28957329
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(3R)-3-(2-cycloheptylethylamino)butan-1-ol
SMILESC[C@H](CCO)NCCC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-12(9-11-15)14-10-8-13-6-4-2-3-5-7-13/h12-15H,2-11H2,1H3/t12-/m1/s1
InChIKeyYORMVZMTYRFDRS-GFCCVEGCSA-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

3-(2-cyclopropylethylamino)butan-1-ol
CID 83178015
2-(2-cycloheptylethylamino)propan-1-ol
CID 56854236
(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol
CID 103871740
(3R)-3-(cyclopentylmethylamino)butan-1-ol
CID 103923917
4-(4-cyclopentylbutan-2-ylamino)-3-methylbutan-1-ol
CID 115725107
N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine
CID 115708422
N-(2-cyclopentylethyl)propan-2-amine;molecular hydrogen
CID 165122655
N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine
CID 64630559
5-cyclopentyl-N-propylpentan-2-amine
CID 64504022
N-(2-cyclopentylethyl)-3-methylbutan-2-amine
CID 60920356
3-(2-cyclopentylethylamino)-N,N-dimethylbutanamide
CID 115708191
N-(2-cyclobutylethyl)-4,4,4-trifluorobutan-2-amine
CID 115893436

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-cycloheptylethylamino)butan-1-ol?
The IUPAC name of (3R)-3-(2-cycloheptylethylamino)butan-1-ol (CID 28957329) is (3R)-3-(2-cycloheptylethylamino)butan-1-ol.
What is the SMILES notation for (3R)-3-(2-cycloheptylethylamino)butan-1-ol?
The canonical SMILES for (3R)-3-(2-cycloheptylethylamino)butan-1-ol is C[C@H](CCO)NCCC1CCCCCC1.
What is the InChIKey of (3R)-3-(2-cycloheptylethylamino)butan-1-ol?
The InChIKey is YORMVZMTYRFDRS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(9-11-15)14-10-8-13-6-4-2-3-5-7-13/h12-15H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-(2-cycloheptylethylamino)butan-1-ol?
(3R)-3-(2-cycloheptylethylamino)butan-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 (3R)-3-(2-cycloheptylethylamino)butan-1-ol is sourced from PubChem (CID 28957329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).