N-[(Z)-hex-1-en-3-ylideneamino]methanamine

C7H14N2 — CID 143642365

IUPACN-[(Z)-hex-1-en-3-ylideneamino]methanamine
SMILESC=C/C(CCC)=N\NC
InChIInChI=1S/C7H14N2/c1-4-6-7(5-2)9-8-3/h5,8H,2,4,6H2,1,3H3/b9-7+
InChIKeyFTUNWIBFECCADE-VQHVLOKHSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds4

About N-[(Z)-hex-1-en-3-ylideneamino]methanamine

N-[(Z)-hex-1-en-3-ylideneamino]methanamine (PubChem CID 143642365) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-[(Z)-hex-1-en-3-ylideneamino]methanamine.

Molecular Properties

Compound NameN-[(Z)-hex-1-en-3-ylideneamino]methanamine
PubChem CID143642365
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-[(Z)-hex-1-en-3-ylideneamino]methanamine
SMILESC=C/C(CCC)=N\NC
InChIInChI=1S/C7H14N2/c1-4-6-7(5-2)9-8-3/h5,8H,2,4,6H2,1,3H3/b9-7+
InChIKeyFTUNWIBFECCADE-VQHVLOKHSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-1-en-3-ylideneamino]methanamine?
The IUPAC name of N-[(Z)-hex-1-en-3-ylideneamino]methanamine (CID 143642365) is N-[(Z)-hex-1-en-3-ylideneamino]methanamine.
What is the SMILES notation for N-[(Z)-hex-1-en-3-ylideneamino]methanamine?
The canonical SMILES for N-[(Z)-hex-1-en-3-ylideneamino]methanamine is C=C/C(CCC)=N\NC.
What is the InChIKey of N-[(Z)-hex-1-en-3-ylideneamino]methanamine?
The InChIKey is FTUNWIBFECCADE-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6-7(5-2)9-8-3/h5,8H,2,4,6H2,1,3H3/b9-7+.
What are the key properties of N-[(Z)-hex-1-en-3-ylideneamino]methanamine?
N-[(Z)-hex-1-en-3-ylideneamino]methanamine has a molecular weight of 126.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-1-en-3-ylideneamino]methanamine is sourced from PubChem (CID 143642365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).