(2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine

C9H18N2 — CID 130451665

IUPAC(2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine
SMILESCC/C=C(C)/C=C(/CN)NC
InChIInChI=1S/C9H18N2/c1-4-5-8(2)6-9(7-10)11-3/h5-6,11H,4,7,10H2,1-3H3/b8-5+,9-6-
InChIKeySRXFTJDVOYJJFB-OWNHSFIXSA-N
MW154.26 g/mol
LogP1.40
Rot. Bonds4

About (2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine

(2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine (PubChem CID 130451665) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name(2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine
PubChem CID130451665
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine
SMILESCC/C=C(C)/C=C(/CN)NC
InChIInChI=1S/C9H18N2/c1-4-5-8(2)6-9(7-10)11-3/h5-6,11H,4,7,10H2,1-3H3/b8-5+,9-6-
InChIKeySRXFTJDVOYJJFB-OWNHSFIXSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine?
The IUPAC name of (2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine (CID 130451665) is (2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine.
What is the SMILES notation for (2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine?
The canonical SMILES for (2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine is CC/C=C(C)/C=C(/CN)NC.
What is the InChIKey of (2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine?
The InChIKey is SRXFTJDVOYJJFB-OWNHSFIXSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-8(2)6-9(7-10)11-3/h5-6,11H,4,7,10H2,1-3H3/b8-5+,9-6-.
What are the key properties of (2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine?
(2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-N,4-dimethylhepta-2,4-diene-1,2-diamine is sourced from PubChem (CID 130451665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).