N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine

C8H14N2 — CID 89329449

IUPACN-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine
SMILESC/C=C\C=C/C(C)=N/NC
InChIInChI=1S/C8H14N2/c1-4-5-6-7-8(2)10-9-3/h4-7,9H,1-3H3/b5-4-,7-6-,10-8+
InChIKeyDCXCJTVGBSNKOQ-SAEJHGFRSA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds3

About N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine

N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine (PubChem CID 89329449) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine
PubChem CID89329449
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine
SMILESC/C=C\C=C/C(C)=N/NC
InChIInChI=1S/C8H14N2/c1-4-5-6-7-8(2)10-9-3/h4-7,9H,1-3H3/b5-4-,7-6-,10-8+
InChIKeyDCXCJTVGBSNKOQ-SAEJHGFRSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine?
The IUPAC name of N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine (CID 89329449) is N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine.
What is the SMILES notation for N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine?
The canonical SMILES for N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine is C/C=C\C=C/C(C)=N/NC.
What is the InChIKey of N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine?
The InChIKey is DCXCJTVGBSNKOQ-SAEJHGFRSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-6-7-8(2)10-9-3/h4-7,9H,1-3H3/b5-4-,7-6-,10-8+.
What are the key properties of N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine?
N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine has a molecular weight of 138.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]methanamine is sourced from PubChem (CID 89329449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).