(Z)-3-pentan-3-yliminoprop-1-en-1-amine

C8H16N2 — CID 126672150

IUPAC(Z)-3-pentan-3-yliminoprop-1-en-1-amine
SMILESCCC(CC)/N=C/C=C\N
InChIInChI=1S/C8H16N2/c1-3-8(4-2)10-7-5-6-9/h5-8H,3-4,9H2,1-2H3/b6-5-,10-7+
InChIKeyJKJQYQZPCHICEB-ZZWPSLBBSA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds4

About (Z)-3-pentan-3-yliminoprop-1-en-1-amine

(Z)-3-pentan-3-yliminoprop-1-en-1-amine (PubChem CID 126672150) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-3-pentan-3-yliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-pentan-3-yliminoprop-1-en-1-amine
PubChem CID126672150
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-3-pentan-3-yliminoprop-1-en-1-amine
SMILESCCC(CC)/N=C/C=C\N
InChIInChI=1S/C8H16N2/c1-3-8(4-2)10-7-5-6-9/h5-8H,3-4,9H2,1-2H3/b6-5-,10-7+
InChIKeyJKJQYQZPCHICEB-ZZWPSLBBSA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
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)-3-pentan-3-yliminoprop-1-en-1-amine?
The IUPAC name of (Z)-3-pentan-3-yliminoprop-1-en-1-amine (CID 126672150) is (Z)-3-pentan-3-yliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-pentan-3-yliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-3-pentan-3-yliminoprop-1-en-1-amine is CCC(CC)/N=C/C=C\N.
What is the InChIKey of (Z)-3-pentan-3-yliminoprop-1-en-1-amine?
The InChIKey is JKJQYQZPCHICEB-ZZWPSLBBSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-8(4-2)10-7-5-6-9/h5-8H,3-4,9H2,1-2H3/b6-5-,10-7+.
What are the key properties of (Z)-3-pentan-3-yliminoprop-1-en-1-amine?
(Z)-3-pentan-3-yliminoprop-1-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-pentan-3-yliminoprop-1-en-1-amine is sourced from PubChem (CID 126672150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).