(3Z,5Z)-2-methylhepta-3,5-dien-1-imine

C8H13N — CID 88580906

IUPAC(3Z,5Z)-2-methylhepta-3,5-dien-1-imine
SMILES[H]/N=C/C(C)/C=C\C=C/C
InChIInChI=1S/C8H13N/c1-3-4-5-6-8(2)7-9/h3-9H,1-2H3/b4-3-,6-5-,9-7+
InChIKeyDPBGAZJLGPLIJP-XMOCOHJPSA-N
MW123.20 g/mol
LogP2.40
Rot. Bonds3

About (3Z,5Z)-2-methylhepta-3,5-dien-1-imine

(3Z,5Z)-2-methylhepta-3,5-dien-1-imine (PubChem CID 88580906) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (3Z,5Z)-2-methylhepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(3Z,5Z)-2-methylhepta-3,5-dien-1-imine
PubChem CID88580906
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(3Z,5Z)-2-methylhepta-3,5-dien-1-imine
SMILES[H]/N=C/C(C)/C=C\C=C/C
InChIInChI=1S/C8H13N/c1-3-4-5-6-8(2)7-9/h3-9H,1-2H3/b4-3-,6-5-,9-7+
InChIKeyDPBGAZJLGPLIJP-XMOCOHJPSA-N
XLogP2.40
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylhepta-3,5-dien-1-imine?
The IUPAC name of (3Z,5Z)-2-methylhepta-3,5-dien-1-imine (CID 88580906) is (3Z,5Z)-2-methylhepta-3,5-dien-1-imine.
What is the SMILES notation for (3Z,5Z)-2-methylhepta-3,5-dien-1-imine?
The canonical SMILES for (3Z,5Z)-2-methylhepta-3,5-dien-1-imine is [H]/N=C/C(C)/C=C\C=C/C.
What is the InChIKey of (3Z,5Z)-2-methylhepta-3,5-dien-1-imine?
The InChIKey is DPBGAZJLGPLIJP-XMOCOHJPSA-N. The full InChI is InChI=1S/C8H13N/c1-3-4-5-6-8(2)7-9/h3-9H,1-2H3/b4-3-,6-5-,9-7+.
What are the key properties of (3Z,5Z)-2-methylhepta-3,5-dien-1-imine?
(3Z,5Z)-2-methylhepta-3,5-dien-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-methylhepta-3,5-dien-1-imine is sourced from PubChem (CID 88580906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).