(3Z)-4-methylhexa-3,5-diene-1,5-diamine

C7H14N2 — CID 89159357

IUPAC(3Z)-4-methylhexa-3,5-diene-1,5-diamine
SMILESC=C(N)/C(C)=C\CCN
InChIInChI=1S/C7H14N2/c1-6(7(2)9)4-3-5-8/h4H,2-3,5,8-9H2,1H3/b6-4-
InChIKeyYTOKFDIZXRLVKE-XQRVVYSFSA-N
MW126.20 g/mol
LogP0.75
Rot. Bonds3

About (3Z)-4-methylhexa-3,5-diene-1,5-diamine

(3Z)-4-methylhexa-3,5-diene-1,5-diamine (PubChem CID 89159357) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (3Z)-4-methylhexa-3,5-diene-1,5-diamine.

Molecular Properties

Compound Name(3Z)-4-methylhexa-3,5-diene-1,5-diamine
PubChem CID89159357
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(3Z)-4-methylhexa-3,5-diene-1,5-diamine
SMILESC=C(N)/C(C)=C\CCN
InChIInChI=1S/C7H14N2/c1-6(7(2)9)4-3-5-8/h4H,2-3,5,8-9H2,1H3/b6-4-
InChIKeyYTOKFDIZXRLVKE-XQRVVYSFSA-N
XLogP0.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.75
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 (3Z)-4-methylhexa-3,5-diene-1,5-diamine?
The IUPAC name of (3Z)-4-methylhexa-3,5-diene-1,5-diamine (CID 89159357) is (3Z)-4-methylhexa-3,5-diene-1,5-diamine.
What is the SMILES notation for (3Z)-4-methylhexa-3,5-diene-1,5-diamine?
The canonical SMILES for (3Z)-4-methylhexa-3,5-diene-1,5-diamine is C=C(N)/C(C)=C\CCN.
What is the InChIKey of (3Z)-4-methylhexa-3,5-diene-1,5-diamine?
The InChIKey is YTOKFDIZXRLVKE-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(7(2)9)4-3-5-8/h4H,2-3,5,8-9H2,1H3/b6-4-.
What are the key properties of (3Z)-4-methylhexa-3,5-diene-1,5-diamine?
(3Z)-4-methylhexa-3,5-diene-1,5-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methylhexa-3,5-diene-1,5-diamine is sourced from PubChem (CID 89159357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).