(Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine

C8H14N2 — CID 167297571

IUPAC(Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine
SMILES[H]/N=C(\C)C(=C)/C=C\NCC
InChIInChI=1S/C8H14N2/c1-4-10-6-5-7(2)8(3)9/h5-6,9-10H,2,4H2,1,3H3/b6-5-,9-8+
InChIKeyYNQNEQSADCDJKS-UEPDSTOUSA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds4

About (Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine

(Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine (PubChem CID 167297571) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine
PubChem CID167297571
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine
SMILES[H]/N=C(\C)C(=C)/C=C\NCC
InChIInChI=1S/C8H14N2/c1-4-10-6-5-7(2)8(3)9/h5-6,9-10H,2,4H2,1,3H3/b6-5-,9-8+
InChIKeyYNQNEQSADCDJKS-UEPDSTOUSA-N
XLogP1.71
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine?
The IUPAC name of (Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine (CID 167297571) is (Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine is [H]/N=C(\C)C(=C)/C=C\NCC.
What is the InChIKey of (Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine?
The InChIKey is YNQNEQSADCDJKS-UEPDSTOUSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-10-6-5-7(2)8(3)9/h5-6,9-10H,2,4H2,1,3H3/b6-5-,9-8+.
What are the key properties of (Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine?
(Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-4-imino-3-methylidenepent-1-en-1-amine is sourced from PubChem (CID 167297571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).