2-cyclohexyl-1-(propylamino)propan-2-ol

C12H25NO — CID 62775287

IUPAC2-cyclohexyl-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-9-13-10-12(2,14)11-7-5-4-6-8-11/h11,13-14H,3-10H2,1-2H3
InChIKeyQTHAXYMTMNKOPU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds5

About 2-cyclohexyl-1-(propylamino)propan-2-ol

2-cyclohexyl-1-(propylamino)propan-2-ol (PubChem CID 62775287) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-cyclohexyl-1-(propylamino)propan-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-1-(propylamino)propan-2-ol
PubChem CID62775287
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-cyclohexyl-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-9-13-10-12(2,14)11-7-5-4-6-8-11/h11,13-14H,3-10H2,1-2H3
InChIKeyQTHAXYMTMNKOPU-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylcyclohexyl)-1-(propylamino)propan-2-ol
CID 66038908
2-cyclohexylpentan-2-ol
CID 75245103
2-cyclohexylbutan-2-ol
CID 14023764
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
CID 79907956
2-cyclopentyl-1-(cyclopentylamino)propan-2-ol
CID 82239501
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
1-(cyclohexylamino)-2-cyclopropylpropan-2-ol
CID 82239509
N-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62257203
N-(2-cyclopentyl-2-hydroxypropyl)acetamide
CID 126988295
2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
CID 115216597
(2S)-1-amino-2-cyclohexylpropan-2-ol
CID 93298138
4-cyclohexyl-2-ethyl-2-methyl-N-propylbutan-1-amine
CID 114192517

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(propylamino)propan-2-ol?
The IUPAC name of 2-cyclohexyl-1-(propylamino)propan-2-ol (CID 62775287) is 2-cyclohexyl-1-(propylamino)propan-2-ol.
What is the SMILES notation for 2-cyclohexyl-1-(propylamino)propan-2-ol?
The canonical SMILES for 2-cyclohexyl-1-(propylamino)propan-2-ol is CCCNCC(C)(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(propylamino)propan-2-ol?
The InChIKey is QTHAXYMTMNKOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-9-13-10-12(2,14)11-7-5-4-6-8-11/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(propylamino)propan-2-ol?
2-cyclohexyl-1-(propylamino)propan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(propylamino)propan-2-ol is sourced from PubChem (CID 62775287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).