N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine

C14H30N2 — CID 167142772

IUPACN'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)C/C(C)=C(/C)N(C)CC(C)CN
InChIInChI=1S/C14H30N2/c1-7-11(2)8-13(4)14(5)16(6)10-12(3)9-15/h11-12H,7-10,15H2,1-6H3/b14-13-
InChIKeyIQJDKYKUXVKHRL-YPKPFQOOSA-N
MW226.41 g/mol
LogP3.24
Rot. Bonds7

About N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine

N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine (PubChem CID 167142772) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine
PubChem CID167142772
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)C/C(C)=C(/C)N(C)CC(C)CN
InChIInChI=1S/C14H30N2/c1-7-11(2)8-13(4)14(5)16(6)10-12(3)9-15/h11-12H,7-10,15H2,1-6H3/b14-13-
InChIKeyIQJDKYKUXVKHRL-YPKPFQOOSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-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

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine (CID 167142772) is N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine is CCC(C)C/C(C)=C(/C)N(C)CC(C)CN.
What is the InChIKey of N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine?
The InChIKey is IQJDKYKUXVKHRL-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-11(2)8-13(4)14(5)16(6)10-12(3)9-15/h11-12H,7-10,15H2,1-6H3/b14-13-.
What are the key properties of N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine?
N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3,5-dimethylhept-2-en-2-yl]-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 167142772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).