N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine

C8H16N2 — CID 172945239

IUPACN-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine
SMILESCN/N=C\C=C(/C)C(C)C
InChIInChI=1S/C8H16N2/c1-7(2)8(3)5-6-10-9-4/h5-7,9H,1-4H3/b8-5+,10-6-
InChIKeyNGCGYTPSRNKABQ-QYEKGNEQSA-N
MW140.23 g/mol
LogP1.79
Rot. Bonds3

About N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine

N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine (PubChem CID 172945239) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine
PubChem CID172945239
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine
SMILESCN/N=C\C=C(/C)C(C)C
InChIInChI=1S/C8H16N2/c1-7(2)8(3)5-6-10-9-4/h5-7,9H,1-4H3/b8-5+,10-6-
InChIKeyNGCGYTPSRNKABQ-QYEKGNEQSA-N
XLogP1.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.79
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)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine (CID 172945239) is N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine is CN/N=C\C=C(/C)C(C)C.
What is the InChIKey of N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine?
The InChIKey is NGCGYTPSRNKABQ-QYEKGNEQSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)8(3)5-6-10-9-4/h5-7,9H,1-4H3/b8-5+,10-6-.
What are the key properties of N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine?
N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine has a molecular weight of 140.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3,4-dimethylpent-2-enylidene]amino]methanamine is sourced from PubChem (CID 172945239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).