3-N,6-dimethyl-3-propylheptane-1,3-diamine

C12H28N2 — CID 167122452

IUPAC3-N,6-dimethyl-3-propylheptane-1,3-diamine
SMILESCCCC(CCN)(CCC(C)C)NC
InChIInChI=1S/C12H28N2/c1-5-7-12(14-4,9-10-13)8-6-11(2)3/h11,14H,5-10,13H2,1-4H3
InChIKeyMNIVJLUAVMRVNH-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.53
Rot. Bonds8

About 3-N,6-dimethyl-3-propylheptane-1,3-diamine

3-N,6-dimethyl-3-propylheptane-1,3-diamine (PubChem CID 167122452) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-N,6-dimethyl-3-propylheptane-1,3-diamine.

Molecular Properties

Compound Name3-N,6-dimethyl-3-propylheptane-1,3-diamine
PubChem CID167122452
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name3-N,6-dimethyl-3-propylheptane-1,3-diamine
SMILESCCCC(CCN)(CCC(C)C)NC
InChIInChI=1S/C12H28N2/c1-5-7-12(14-4,9-10-13)8-6-11(2)3/h11,14H,5-10,13H2,1-4H3
InChIKeyMNIVJLUAVMRVNH-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-N,6-dimethyl-3-propylheptane-1,3-diamine 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-ethyl-N,7-dimethyloctan-4-amine
CID 167249904
2-N-propan-2-yl-2-propylpentane-1,2-diamine
CID 62066790
ethanamine;2-methylpentane
CID 143240474
3-N,3-dimethyl-3-N-(4-methylpentyl)butane-1,3-diamine
CID 115134994
3-N,3-dimethylbutane-1,3-diamine
CID 89269662
2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 107871155
5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol
CID 107871606
(3R)-3,7-dimethyloctan-1-amine
CID 92974894
4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine
CID 168881109
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
6,6-dibutyl-2-methyldecane
CID 150480915
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295

Frequently Asked Questions

What is the IUPAC name of 3-N,6-dimethyl-3-propylheptane-1,3-diamine?
The IUPAC name of 3-N,6-dimethyl-3-propylheptane-1,3-diamine (CID 167122452) is 3-N,6-dimethyl-3-propylheptane-1,3-diamine.
What is the SMILES notation for 3-N,6-dimethyl-3-propylheptane-1,3-diamine?
The canonical SMILES for 3-N,6-dimethyl-3-propylheptane-1,3-diamine is CCCC(CCN)(CCC(C)C)NC.
What is the InChIKey of 3-N,6-dimethyl-3-propylheptane-1,3-diamine?
The InChIKey is MNIVJLUAVMRVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-7-12(14-4,9-10-13)8-6-11(2)3/h11,14H,5-10,13H2,1-4H3.
What are the key properties of 3-N,6-dimethyl-3-propylheptane-1,3-diamine?
3-N,6-dimethyl-3-propylheptane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-dimethyl-3-propylheptane-1,3-diamine is sourced from PubChem (CID 167122452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).