3,4-dimethyl-N-propan-2-ylheptan-2-amine

C12H27N — CID 107886809

IUPAC3,4-dimethyl-N-propan-2-ylheptan-2-amine
SMILESCCCC(C)C(C)C(C)NC(C)C
InChIInChI=1S/C12H27N/c1-7-8-10(4)11(5)12(6)13-9(2)3/h9-13H,7-8H2,1-6H3
InChIKeyGIXJILOIFGEJOZ-UHFFFAOYSA-N
MW185.36 g/mol
LogP3.45
Rot. Bonds6

About 3,4-dimethyl-N-propan-2-ylheptan-2-amine

3,4-dimethyl-N-propan-2-ylheptan-2-amine (PubChem CID 107886809) has the molecular formula C12H27N and a molecular weight of 185.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-propan-2-ylheptan-2-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-propan-2-ylheptan-2-amine
PubChem CID107886809
Molecular FormulaC12H27N
Molecular Weight185.36 g/mol
Exact Mass185.21
IUPAC Name3,4-dimethyl-N-propan-2-ylheptan-2-amine
SMILESCCCC(C)C(C)C(C)NC(C)C
InChIInChI=1S/C12H27N/c1-7-8-10(4)11(5)12(6)13-9(2)3/h9-13H,7-8H2,1-6H3
InChIKeyGIXJILOIFGEJOZ-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-dimethyl-N-propan-2-ylheptan-2-amine 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-methyl-2-N-propan-2-ylhexane-1,2-diamine
CID 62071023
2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
4,5,6,7,8,9-hexamethyloctadecane
CID 123746260
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
3-ethyl-3,6,7,8-tetramethylundecane
CID 123359808
2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 107889329
(3R,4R,5R)-4,5-dimethyloctan-3-amine
CID 151288694
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
N,N-diethyl-3,4-dimethylheptan-2-amine
CID 90920485
3,4,5-trimethyloct-1-ene
CID 123841596
(3R)-3,4-dimethylheptane
CID 59819300
4,5-dimethylnonadecane
CID 123321090

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-propan-2-ylheptan-2-amine?
The IUPAC name of 3,4-dimethyl-N-propan-2-ylheptan-2-amine (CID 107886809) is 3,4-dimethyl-N-propan-2-ylheptan-2-amine.
What is the SMILES notation for 3,4-dimethyl-N-propan-2-ylheptan-2-amine?
The canonical SMILES for 3,4-dimethyl-N-propan-2-ylheptan-2-amine is CCCC(C)C(C)C(C)NC(C)C.
What is the InChIKey of 3,4-dimethyl-N-propan-2-ylheptan-2-amine?
The InChIKey is GIXJILOIFGEJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-7-8-10(4)11(5)12(6)13-9(2)3/h9-13H,7-8H2,1-6H3.
What are the key properties of 3,4-dimethyl-N-propan-2-ylheptan-2-amine?
3,4-dimethyl-N-propan-2-ylheptan-2-amine has a molecular weight of 185.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-propan-2-ylheptan-2-amine is sourced from PubChem (CID 107886809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).