3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol

C17H34N2O — CID 64798182

IUPAC3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(CC)C1CCCCC1)C1CC1
InChIInChI=1S/C17H34N2O/c1-3-12-18-17(14-20,15-10-11-15)13-19(4-2)16-8-6-5-7-9-16/h15-16,18,20H,3-14H2,1-2H3
InChIKeyNSYHFLVNUYALCC-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds9

About 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol

3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol (PubChem CID 64798182) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
PubChem CID64798182
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(CC)C1CCCCC1)C1CC1
InChIInChI=1S/C17H34N2O/c1-3-12-18-17(14-20,15-10-11-15)13-19(4-2)16-8-6-5-7-9-16/h15-16,18,20H,3-14H2,1-2H3
InChIKeyNSYHFLVNUYALCC-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64797055
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64797121
3-[cyclopentyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64795747
3-[cyclobutylmethyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 107402544
2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propan-1-ol
CID 64790825
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64798088
2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol
CID 64827166
2-cyclopropyl-3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
CID 64825822
2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64797922
2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol
CID 102998387
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64796214
2-cyclopropyl-3-[2-methoxyethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64826993

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol (CID 64798182) is 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol is CCCNC(CO)(CN(CC)C1CCCCC1)C1CC1.
What is the InChIKey of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol?
The InChIKey is NSYHFLVNUYALCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-12-18-17(14-20,15-10-11-15)13-19(4-2)16-8-6-5-7-9-16/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol?
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol has a molecular weight of 282.47 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 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64798182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).