3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol

C14H28N2O — CID 64790238

IUPAC3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CN(CC1CC1)CC1CC1
InChIInChI=1S/C14H28N2O/c1-11(2)15-14(10-17)9-16(7-12-3-4-12)8-13-5-6-13/h11-15,17H,3-10H2,1-2H3
InChIKeyUJDCHSNNJWVIDW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.47
Rot. Bonds9

About 3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol

3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64790238) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64790238
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CN(CC1CC1)CC1CC1
InChIInChI=1S/C14H28N2O/c1-11(2)15-14(10-17)9-16(7-12-3-4-12)8-13-5-6-13/h11-15,17H,3-10H2,1-2H3
InChIKeyUJDCHSNNJWVIDW-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826926
3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64787053
(2R)-1-[bis(cyclopropylmethyl)amino]propan-2-ol
CID 103935199
3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propan-1-ol
CID 64826017
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 79318223
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463
3-(cyclopentylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 66323596
1-[cyclopropylmethyl(propyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61440788
4-(cyclopentylmethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 66324433
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 79527297
2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64791229
3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 106206822

Frequently Asked Questions

What is the IUPAC name of 3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol (CID 64790238) is 3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)CN(CC1CC1)CC1CC1.
What is the InChIKey of 3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is UJDCHSNNJWVIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)15-14(10-17)9-16(7-12-3-4-12)8-13-5-6-13/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(cyclopropylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64790238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).