2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol

C16H34N2O — CID 114763071

IUPAC2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol
SMILESCCCNC1CCC(N(CCO)C(CC)CC)CC1
InChIInChI=1S/C16H34N2O/c1-4-11-17-14-7-9-16(10-8-14)18(12-13-19)15(5-2)6-3/h14-17,19H,4-13H2,1-3H3
InChIKeyWJQMRFRJPYGTMK-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.78
Rot. Bonds9

About 2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol

2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol (PubChem CID 114763071) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol
PubChem CID114763071
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol
SMILESCCCNC1CCC(N(CCO)C(CC)CC)CC1
InChIInChI=1S/C16H34N2O/c1-4-11-17-14-7-9-16(10-8-14)18(12-13-19)15(5-2)6-3/h14-17,19H,4-13H2,1-3H3
InChIKeyWJQMRFRJPYGTMK-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol
CID 64775079
4-N-butan-2-yl-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 114762837
3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine
CID 79644162
3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol
CID 114763598
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495504
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
3-[methyl-[4-(propylamino)cyclohexyl]amino]propane-1,2-diol
CID 82842719
2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62616036
2-[3-(cyclopropylamino)propyl-ethylamino]ethanol
CID 61387148
N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79489086

Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol?
The IUPAC name of 2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol (CID 114763071) is 2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol is CCCNC1CCC(N(CCO)C(CC)CC)CC1.
What is the InChIKey of 2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol?
The InChIKey is WJQMRFRJPYGTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-11-17-14-7-9-16(10-8-14)18(12-13-19)15(5-2)6-3/h14-17,19H,4-13H2,1-3H3.
What are the key properties of 2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol?
2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol has a molecular weight of 270.46 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol is sourced from PubChem (CID 114763071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).