2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol

C12H28N2O — CID 64825412

IUPAC2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol
SMILESCNC(CO)CCN(CC(C)C)C(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)8-14(11(3)4)7-6-12(9-15)13-5/h10-13,15H,6-9H2,1-5H3
InChIKeyFJFKHBROUYPDID-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.32
Rot. Bonds8

About 2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol

2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol (PubChem CID 64825412) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol
PubChem CID64825412
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol
SMILESCNC(CO)CCN(CC(C)C)C(C)C
InChIInChI=1S/C12H28N2O/c1-10(2)8-14(11(3)4)7-6-12(9-15)13-5/h10-13,15H,6-9H2,1-5H3
InChIKeyFJFKHBROUYPDID-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-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

2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64826166
2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 64827204
2-(methylamino)-3-[methyl(2-methylpropyl)amino]propan-1-ol
CID 64797210
2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62039501
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butan-1-ol
CID 64797013
2-(methylamino)-3-[methyl(propan-2-yl)amino]propan-1-ol
CID 64797175
4-[propan-2-yl(propyl)amino]-2-(propylamino)butan-1-ol
CID 64795492
N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 55088829
1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol
CID 64820020
[2-methylpropyl(propan-2-yl)amino]methanol
CID 54030512
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62613776
3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propan-1-ol
CID 64826017

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol?
The IUPAC name of 2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol (CID 64825412) is 2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol is CNC(CO)CCN(CC(C)C)C(C)C.
What is the InChIKey of 2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol?
The InChIKey is FJFKHBROUYPDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(2)8-14(11(3)4)7-6-12(9-15)13-5/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol?
2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 64825412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).