3,5-diethyl-N-methylheptan-2-amine

C12H27N — CID 82928045

IUPAC3,5-diethyl-N-methylheptan-2-amine
SMILESCCC(CC)CC(CC)C(C)NC
InChIInChI=1S/C12H27N/c1-6-11(7-2)9-12(8-3)10(4)13-5/h10-13H,6-9H2,1-5H3
InChIKeyWZURYNICOLBAIC-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds7

About 3,5-diethyl-N-methylheptan-2-amine

3,5-diethyl-N-methylheptan-2-amine (PubChem CID 82928045) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3,5-diethyl-N-methylheptan-2-amine.

Molecular Properties

Compound Name3,5-diethyl-N-methylheptan-2-amine
PubChem CID82928045
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3,5-diethyl-N-methylheptan-2-amine
SMILESCCC(CC)CC(CC)C(C)NC
InChIInChI=1S/C12H27N/c1-6-11(7-2)9-12(8-3)10(4)13-5/h10-13H,6-9H2,1-5H3
InChIKeyWZURYNICOLBAIC-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-diethyl-N-methylheptan-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

3,5-diethyl-N-propylheptan-2-amine
CID 82928149
3,7-diethyl-5-pentan-3-ylnonane
CID 173210020
(1R)-1-N'-[(2S,3S)-5-ethyl-3-propylheptan-2-yl]-1-N-methylethane-1,1-diamine
CID 174146484
6-ethyl-2-methyl-4-pentan-3-yloctane
CID 123821034
5-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 60999751
3,5-diethylheptan-2-yl-methyl-propyloxidanium
CID 90803998
N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine
CID 163446158
3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine
CID 104564561
N,3-diethyl-5-methylhexan-2-amine
CID 54129064
3,5-diethyl-2-methyloctane
CID 57491216
(5S)-3-ethyl-5-methylheptane
CID 59094044
3-ethyl-N-(3-ethylpentan-2-yl)pentan-2-amine
CID 87914050

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-N-methylheptan-2-amine?
The IUPAC name of 3,5-diethyl-N-methylheptan-2-amine (CID 82928045) is 3,5-diethyl-N-methylheptan-2-amine.
What is the SMILES notation for 3,5-diethyl-N-methylheptan-2-amine?
The canonical SMILES for 3,5-diethyl-N-methylheptan-2-amine is CCC(CC)CC(CC)C(C)NC.
What is the InChIKey of 3,5-diethyl-N-methylheptan-2-amine?
The InChIKey is WZURYNICOLBAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-11(7-2)9-12(8-3)10(4)13-5/h10-13H,6-9H2,1-5H3.
What are the key properties of 3,5-diethyl-N-methylheptan-2-amine?
3,5-diethyl-N-methylheptan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-N-methylheptan-2-amine is sourced from PubChem (CID 82928045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).