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

C12H28N2O — CID 43294743

IUPAC1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCCN(C)CC(O)CNC(C)C
InChIInChI=1S/C12H28N2O/c1-5-6-7-8-14(4)10-12(15)9-13-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyXNCQKSSZXXOYEE-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.47
Rot. Bonds9

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

1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43294743) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol
PubChem CID43294743
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol
SMILESCCCCCN(C)CC(O)CNC(C)C
InChIInChI=1S/C12H28N2O/c1-5-6-7-8-14(4)10-12(15)9-13-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyXNCQKSSZXXOYEE-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'}

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Related Compounds

1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 43165831
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol
CID 21332463
1-chloro-3-[methyl(pentyl)amino]propan-2-ol
CID 112561245
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
1-[cyclopropylmethyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 60983945
3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64796603
1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
CID 123552259
1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
CID 139634498
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621
3-[butyl(methyl)amino]-2-hydroxypropane-1-sulfonic acid
CID 163987665

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol (CID 43294743) is 1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol is CCCCCN(C)CC(O)CNC(C)C.
What is the InChIKey of 1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is XNCQKSSZXXOYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-6-7-8-14(4)10-12(15)9-13-11(2)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol?
1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-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 1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43294743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).