(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol

C13H27NO — CID 28724606

IUPAC(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
SMILESCCCC1CCC(N[C@H](CC)CO)CC1
InChIInChI=1S/C13H27NO/c1-3-5-11-6-8-13(9-7-11)14-12(4-2)10-15/h11-15H,3-10H2,1-2H3/t11?,12-,13?/m1/s1
InChIKeyQBHGHQSISBEZAF-OTTFEQOBSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds6

About (2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol

(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol (PubChem CID 28724606) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
PubChem CID28724606
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
SMILESCCCC1CCC(N[C@H](CC)CO)CC1
InChIInChI=1S/C13H27NO/c1-3-5-11-6-8-13(9-7-11)14-12(4-2)10-15/h11-15H,3-10H2,1-2H3/t11?,12-,13?/m1/s1
InChIKeyQBHGHQSISBEZAF-OTTFEQOBSA-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

4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
2-[(4-methylcycloheptyl)amino]butan-1-ol
CID 65081279
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
CID 43079522
N-octan-4-yl-4-propylcyclohexan-1-amine
CID 114138056
N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine
CID 63456173
3-(cyclopropylamino)pentan-1-ol
CID 83815190
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
3-methyl-2-[(4-propylcyclohexyl)amino]butanamide
CID 113233122
N-hexan-3-ylcyclopropanamine
CID 103920845
2-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 64803991

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol (CID 28724606) is (2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol is CCCC1CCC(N[C@H](CC)CO)CC1.
What is the InChIKey of (2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol?
The InChIKey is QBHGHQSISBEZAF-OTTFEQOBSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-11-6-8-13(9-7-11)14-12(4-2)10-15/h11-15H,3-10H2,1-2H3/t11?,12-,13?/m1/s1.
What are the key properties of (2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol?
(2R)-2-[(4-propylcyclohexyl)amino]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 (2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol is sourced from PubChem (CID 28724606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).