3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol

C12H28N2O — CID 64796603

IUPAC3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCCCCCN(C)CC(CO)NC(C)C
InChIInChI=1S/C12H28N2O/c1-5-6-7-8-14(4)9-12(10-15)13-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyAUVDHZSYWLAKME-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.47
Rot. Bonds9

About 3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol

3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64796603) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64796603
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCCCCCN(C)CC(CO)NC(C)C
InChIInChI=1S/C12H28N2O/c1-5-6-7-8-14(4)9-12(10-15)13-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyAUVDHZSYWLAKME-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[methyl(pentyl)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

4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826563
1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
CID 123552259
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
CID 139634498
(2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol
CID 10478004
6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol
CID 72549336
(2R,3S,4R,5R)-6-[dodecyl(methyl)amino]hexane-1,2,3,4,5-pentol
CID 10316673
3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64791382
2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine
CID 62040977
1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 43294743
2-(methylamino)-3-[methyl(propyl)amino]propan-1-ol
CID 64795916
3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64787053

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol (CID 64796603) is 3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol is CCCCCN(C)CC(CO)NC(C)C.
What is the InChIKey of 3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is AUVDHZSYWLAKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-6-7-8-14(4)9-12(10-15)13-11(2)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol?
3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 216.37 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-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64796603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).