(3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine

C12H22N2 — CID 144821177

IUPAC(3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine
SMILESC=C(/C=C\C(=C)C(C)(C)N)NC(C)C
InChIInChI=1S/C12H22N2/c1-9(2)14-11(4)8-7-10(3)12(5,6)13/h7-9,14H,3-4,13H2,1-2,5-6H3/b8-7-
InChIKeySQYMYJZYJNZRGU-FPLPWBNLSA-N
MW194.32 g/mol
LogP2.35
Rot. Bonds5

About (3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine

(3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine (PubChem CID 144821177) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine.

Molecular Properties

Compound Name(3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine
PubChem CID144821177
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine
SMILESC=C(/C=C\C(=C)C(C)(C)N)NC(C)C
InChIInChI=1S/C12H22N2/c1-9(2)14-11(4)8-7-10(3)12(5,6)13/h7-9,14H,3-4,13H2,1-2,5-6H3/b8-7-
InChIKeySQYMYJZYJNZRGU-FPLPWBNLSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-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 (3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine?
The IUPAC name of (3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine (CID 144821177) is (3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine.
What is the SMILES notation for (3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine?
The canonical SMILES for (3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine is C=C(/C=C\C(=C)C(C)(C)N)NC(C)C.
What is the InChIKey of (3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine?
The InChIKey is SQYMYJZYJNZRGU-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)14-11(4)8-7-10(3)12(5,6)13/h7-9,14H,3-4,13H2,1-2,5-6H3/b8-7-.
What are the key properties of (3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine?
(3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine has a molecular weight of 194.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-5-methylidene-2-N-propan-2-ylhepta-1,3-diene-2,6-diamine is sourced from PubChem (CID 144821177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).