1-(propan-2-ylideneamino)pent-1-en-3-amine

C8H16N2 — CID 123910657

IUPAC1-(propan-2-ylideneamino)pent-1-en-3-amine
SMILESCCC(N)C=CN=C(C)C
InChIInChI=1S/C8H16N2/c1-4-8(9)5-6-10-7(2)3/h5-6,8H,4,9H2,1-3H3
InChIKeyJJDBHAUEIMOTET-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds3

About 1-(propan-2-ylideneamino)pent-1-en-3-amine

1-(propan-2-ylideneamino)pent-1-en-3-amine (PubChem CID 123910657) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(propan-2-ylideneamino)pent-1-en-3-amine.

Molecular Properties

Compound Name1-(propan-2-ylideneamino)pent-1-en-3-amine
PubChem CID123910657
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-(propan-2-ylideneamino)pent-1-en-3-amine
SMILESCCC(N)C=CN=C(C)C
InChIInChI=1S/C8H16N2/c1-4-8(9)5-6-10-7(2)3/h5-6,8H,4,9H2,1-3H3
InChIKeyJJDBHAUEIMOTET-UHFFFAOYSA-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 1-(propan-2-ylideneamino)pent-1-en-3-amine?
The IUPAC name of 1-(propan-2-ylideneamino)pent-1-en-3-amine (CID 123910657) is 1-(propan-2-ylideneamino)pent-1-en-3-amine.
What is the SMILES notation for 1-(propan-2-ylideneamino)pent-1-en-3-amine?
The canonical SMILES for 1-(propan-2-ylideneamino)pent-1-en-3-amine is CCC(N)C=CN=C(C)C.
What is the InChIKey of 1-(propan-2-ylideneamino)pent-1-en-3-amine?
The InChIKey is JJDBHAUEIMOTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-8(9)5-6-10-7(2)3/h5-6,8H,4,9H2,1-3H3.
What are the key properties of 1-(propan-2-ylideneamino)pent-1-en-3-amine?
1-(propan-2-ylideneamino)pent-1-en-3-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 1-(propan-2-ylideneamino)pent-1-en-3-amine is sourced from PubChem (CID 123910657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).