(3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine

C12H23N3 — CID 126599359

IUPAC(3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine
SMILES[H]/N=C(C)/C(N)=C(\C=C/C)N(C)CC(C)C
InChIInChI=1S/C12H23N3/c1-6-7-11(12(14)10(4)13)15(5)8-9(2)3/h6-7,9,13H,8,14H2,1-5H3/b7-6-,12-11-,13-10+
InChIKeyNBZJTUYMMDLWIF-GQLOHTCQSA-N
MW209.34 g/mol
LogP2.36
Rot. Bonds5

About (3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine

(3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine (PubChem CID 126599359) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine.

Molecular Properties

Compound Name(3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine
PubChem CID126599359
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine
SMILES[H]/N=C(C)/C(N)=C(\C=C/C)N(C)CC(C)C
InChIInChI=1S/C12H23N3/c1-6-7-11(12(14)10(4)13)15(5)8-9(2)3/h6-7,9,13H,8,14H2,1-5H3/b7-6-,12-11-,13-10+
InChIKeyNBZJTUYMMDLWIF-GQLOHTCQSA-N
XLogP2.36
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine?
The IUPAC name of (3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine (CID 126599359) is (3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine.
What is the SMILES notation for (3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine?
The canonical SMILES for (3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine is [H]/N=C(C)/C(N)=C(\C=C/C)N(C)CC(C)C.
What is the InChIKey of (3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine?
The InChIKey is NBZJTUYMMDLWIF-GQLOHTCQSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-7-11(12(14)10(4)13)15(5)8-9(2)3/h6-7,9,13H,8,14H2,1-5H3/b7-6-,12-11-,13-10+.
What are the key properties of (3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine?
(3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine has a molecular weight of 209.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine is sourced from PubChem (CID 126599359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).