4-[(Z)-prop-1-enyl]iminopentan-2-amine

C8H16N2 — CID 90051371

IUPAC4-[(Z)-prop-1-enyl]iminopentan-2-amine
SMILESC/C=C\N=C(/C)CC(C)N
InChIInChI=1S/C8H16N2/c1-4-5-10-8(3)6-7(2)9/h4-5,7H,6,9H2,1-3H3/b5-4-,10-8+
InChIKeyOENFDKOEVZOFRM-BTCMVDHLSA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds3

About 4-[(Z)-prop-1-enyl]iminopentan-2-amine

4-[(Z)-prop-1-enyl]iminopentan-2-amine (PubChem CID 90051371) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-[(Z)-prop-1-enyl]iminopentan-2-amine.

Molecular Properties

Compound Name4-[(Z)-prop-1-enyl]iminopentan-2-amine
PubChem CID90051371
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-[(Z)-prop-1-enyl]iminopentan-2-amine
SMILESC/C=C\N=C(/C)CC(C)N
InChIInChI=1S/C8H16N2/c1-4-5-10-8(3)6-7(2)9/h4-5,7H,6,9H2,1-3H3/b5-4-,10-8+
InChIKeyOENFDKOEVZOFRM-BTCMVDHLSA-N
XLogP1.72
TPSA38.38 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 ≤ 51.72
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 4-[(Z)-prop-1-enyl]iminopentan-2-amine?
The IUPAC name of 4-[(Z)-prop-1-enyl]iminopentan-2-amine (CID 90051371) is 4-[(Z)-prop-1-enyl]iminopentan-2-amine.
What is the SMILES notation for 4-[(Z)-prop-1-enyl]iminopentan-2-amine?
The canonical SMILES for 4-[(Z)-prop-1-enyl]iminopentan-2-amine is C/C=C\N=C(/C)CC(C)N.
What is the InChIKey of 4-[(Z)-prop-1-enyl]iminopentan-2-amine?
The InChIKey is OENFDKOEVZOFRM-BTCMVDHLSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-10-8(3)6-7(2)9/h4-5,7H,6,9H2,1-3H3/b5-4-,10-8+.
What are the key properties of 4-[(Z)-prop-1-enyl]iminopentan-2-amine?
4-[(Z)-prop-1-enyl]iminopentan-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-prop-1-enyl]iminopentan-2-amine is sourced from PubChem (CID 90051371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).