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

C12H26N2O — CID 64797729

IUPAC2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol
SMILESCCCC(C)N(C)CC(CO)NC1CC1
InChIInChI=1S/C12H26N2O/c1-4-5-10(2)14(3)8-12(9-15)13-11-6-7-11/h10-13,15H,4-9H2,1-3H3
InChIKeyFNDBTJDXAVREMX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds8

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

2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol (PubChem CID 64797729) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol
PubChem CID64797729
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol
SMILESCCCC(C)N(C)CC(CO)NC1CC1
InChIInChI=1S/C12H26N2O/c1-4-5-10(2)14(3)8-12(9-15)13-11-6-7-11/h10-13,15H,4-9H2,1-3H3
InChIKeyFNDBTJDXAVREMX-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64791382
1-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-2-ol
CID 43571980
2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81062944
3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64787425
3-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64797687
2-(cyclopropylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64825760
3-[cyclohexylmethyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64827404
N-hexan-3-ylcyclopropanamine
CID 103920845
2-N-ethyl-1-N-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 62039695
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
CID 28724606
2-(cyclopropylamino)-3-(dicyclohexylamino)propan-1-ol
CID 64790779

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol (CID 64797729) is 2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol is CCCC(C)N(C)CC(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol?
The InChIKey is FNDBTJDXAVREMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-5-10(2)14(3)8-12(9-15)13-11-6-7-11/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol?
2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[methyl(pentan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 64797729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).