2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine

C14H30N2 — CID 114475156

IUPAC2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine
SMILESC=C(C)CCC(NC)C(C)(C)N(CC)CC
InChIInChI=1S/C14H30N2/c1-8-16(9-2)14(5,6)13(15-7)11-10-12(3)4/h13,15H,3,8-11H2,1-2,4-7H3
InChIKeyDOKOFZSOECMILF-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.05
Rot. Bonds8

About 2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine

2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine (PubChem CID 114475156) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine
PubChem CID114475156
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine
SMILESC=C(C)CCC(NC)C(C)(C)N(CC)CC
InChIInChI=1S/C14H30N2/c1-8-16(9-2)14(5,6)13(15-7)11-10-12(3)4/h13,15H,3,8-11H2,1-2,4-7H3
InChIKeyDOKOFZSOECMILF-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-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

2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine
CID 79053578
2-N,2-N-diethyl-3-N,2-dimethylnonane-2,3-diamine
CID 79052771
2-N,2-N-diethyl-3-N,2-dimethyldecane-2,3-diamine
CID 79052772
N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine
CID 105039485
2-N,2-N-diethyl-6-methoxy-3-N,2-dimethylhexane-2,3-diamine
CID 114856169
3-(diethylamino)-3,7-dimethyloct-7-en-4-ol
CID 114473935
N,2,6-trimethyl-2-phenylhept-6-en-3-amine
CID 114474619
3,3,7-trimethyloct-7-en-4-ylhydrazine
CID 105336008
2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine
CID 79055909
N,2,7,8,8-pentamethylnon-1-en-5-amine
CID 105039716
2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine
CID 114530408
N,2,6-trimethylhept-6-en-3-amine
CID 114474208

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine?
The IUPAC name of 2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine (CID 114475156) is 2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine?
The canonical SMILES for 2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine is C=C(C)CCC(NC)C(C)(C)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine?
The InChIKey is DOKOFZSOECMILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-8-16(9-2)14(5,6)13(15-7)11-10-12(3)4/h13,15H,3,8-11H2,1-2,4-7H3.
What are the key properties of 2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine?
2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine is sourced from PubChem (CID 114475156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).