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

C15H30N2O — CID 64796214

IUPAC2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(C)C(C)C1CC1)C1CC1
InChIInChI=1S/C15H30N2O/c1-4-9-16-15(11-18,14-7-8-14)10-17(3)12(2)13-5-6-13/h12-14,16,18H,4-11H2,1-3H3
InChIKeyIQSDAPDIJHKEJC-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.86
Rot. Bonds9

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

2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol (PubChem CID 64796214) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol
PubChem CID64796214
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(C)C(C)C1CC1)C1CC1
InChIInChI=1S/C15H30N2O/c1-4-9-16-15(11-18,14-7-8-14)10-17(3)12(2)13-5-6-13/h12-14,16,18H,4-11H2,1-3H3
InChIKeyIQSDAPDIJHKEJC-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64797922
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 63909146
2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 64797937
3-[cyclopentyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64797055
2-cyclopropyl-3-[2-methoxyethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64826993
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-[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
2-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]-2-methylpropan-1-ol
CID 64797072
3-[cyclobutylmethyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 107402544

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol (CID 64796214) is 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol is CCCNC(CO)(CN(C)C(C)C1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol?
The InChIKey is IQSDAPDIJHKEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-9-16-15(11-18,14-7-8-14)10-17(3)12(2)13-5-6-13/h12-14,16,18H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64796214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).