2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol

C15H32N2O — CID 64797922

IUPAC2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(C)C(C)CCC)C1CC1
InChIInChI=1S/C15H32N2O/c1-5-7-13(3)17(4)11-15(12-18,14-8-9-14)16-10-6-2/h13-14,16,18H,5-12H2,1-4H3
InChIKeyJIRYHEUUFLWOLW-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds10

About 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol

2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol (PubChem CID 64797922) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol
PubChem CID64797922
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(C)C(C)CCC)C1CC1
InChIInChI=1S/C15H32N2O/c1-5-7-13(3)17(4)11-15(12-18,14-8-9-14)16-10-6-2/h13-14,16,18H,5-12H2,1-4H3
InChIKeyJIRYHEUUFLWOLW-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 64797937
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64796214
3-[cyclopentyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64797055
2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol
CID 64827166
2-cyclopropyl-3-[2-methoxyethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64826993
2-cyclopropyl-3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
CID 64825822
2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propan-1-ol
CID 64790825
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64798182
2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol
CID 102998387
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
CID 63911314
3-[cyclobutylmethyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 107402544
2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64790469

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol (CID 64797922) is 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol is CCCNC(CO)(CN(C)C(C)CCC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol?
The InChIKey is JIRYHEUUFLWOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-7-13(3)17(4)11-15(12-18,14-8-9-14)16-10-6-2/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64797922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).