(Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine

C8H16N2 — CID 146392550

IUPAC(Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine
SMILES[H]/N=C(C)/C=C(/CC)CNC
InChIInChI=1S/C8H16N2/c1-4-8(6-10-3)5-7(2)9/h5,9-10H,4,6H2,1-3H3/b8-5-,9-7+
InChIKeyBVJQCFFPGOAWLC-ANVCMGODSA-N
MW140.23 g/mol
LogP1.58
Rot. Bonds4

About (Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine

(Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine (PubChem CID 146392550) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine
PubChem CID146392550
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine
SMILES[H]/N=C(C)/C=C(/CC)CNC
InChIInChI=1S/C8H16N2/c1-4-8(6-10-3)5-7(2)9/h5,9-10H,4,6H2,1-3H3/b8-5-,9-7+
InChIKeyBVJQCFFPGOAWLC-ANVCMGODSA-N
XLogP1.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine?
The IUPAC name of (Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine (CID 146392550) is (Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine.
What is the SMILES notation for (Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine?
The canonical SMILES for (Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine is [H]/N=C(C)/C=C(/CC)CNC.
What is the InChIKey of (Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine?
The InChIKey is BVJQCFFPGOAWLC-ANVCMGODSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(6-10-3)5-7(2)9/h5,9-10H,4,6H2,1-3H3/b8-5-,9-7+.
What are the key properties of (Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine?
(Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine is sourced from PubChem (CID 146392550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).