(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine

C11H22N2 — CID 143782120

IUPAC(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine
SMILESC=C(/C=C\C)C(C)(N)CCN(C)C
InChIInChI=1S/C11H22N2/c1-6-7-10(2)11(3,12)8-9-13(4)5/h6-7H,2,8-9,12H2,1,3-5H3/b7-6-
InChIKeyVJOMAAZKWQGLJK-SREVYHEPSA-N
MW182.31 g/mol
LogP1.79
Rot. Bonds5

About (Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine

(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine (PubChem CID 143782120) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine
PubChem CID143782120
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine
SMILESC=C(/C=C\C)C(C)(N)CCN(C)C
InChIInChI=1S/C11H22N2/c1-6-7-10(2)11(3,12)8-9-13(4)5/h6-7H,2,8-9,12H2,1,3-5H3/b7-6-
InChIKeyVJOMAAZKWQGLJK-SREVYHEPSA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-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 (Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?
The IUPAC name of (Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine (CID 143782120) is (Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine is C=C(/C=C\C)C(C)(N)CCN(C)C.
What is the InChIKey of (Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?
The InChIKey is VJOMAAZKWQGLJK-SREVYHEPSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7-10(2)11(3,12)8-9-13(4)5/h6-7H,2,8-9,12H2,1,3-5H3/b7-6-.
What are the key properties of (Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?
(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine is sourced from PubChem (CID 143782120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).