(Z)-4-(propylideneamino)but-3-en-1-amine

C7H14N2 — CID 143064351

IUPAC(Z)-4-(propylideneamino)but-3-en-1-amine
SMILESCC/C=N/C=C\CCN
InChIInChI=1S/C7H14N2/c1-2-6-9-7-4-3-5-8/h4,6-7H,2-3,5,8H2,1H3/b7-4-,9-6+
InChIKeyVSHPZXNTNRFQTC-WCXGJSBASA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds4

About (Z)-4-(propylideneamino)but-3-en-1-amine

(Z)-4-(propylideneamino)but-3-en-1-amine (PubChem CID 143064351) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-4-(propylideneamino)but-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(propylideneamino)but-3-en-1-amine
PubChem CID143064351
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-4-(propylideneamino)but-3-en-1-amine
SMILESCC/C=N/C=C\CCN
InChIInChI=1S/C7H14N2/c1-2-6-9-7-4-3-5-8/h4,6-7H,2-3,5,8H2,1H3/b7-4-,9-6+
InChIKeyVSHPZXNTNRFQTC-WCXGJSBASA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
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)-4-(propylideneamino)but-3-en-1-amine?
The IUPAC name of (Z)-4-(propylideneamino)but-3-en-1-amine (CID 143064351) is (Z)-4-(propylideneamino)but-3-en-1-amine.
What is the SMILES notation for (Z)-4-(propylideneamino)but-3-en-1-amine?
The canonical SMILES for (Z)-4-(propylideneamino)but-3-en-1-amine is CC/C=N/C=C\CCN.
What is the InChIKey of (Z)-4-(propylideneamino)but-3-en-1-amine?
The InChIKey is VSHPZXNTNRFQTC-WCXGJSBASA-N. The full InChI is InChI=1S/C7H14N2/c1-2-6-9-7-4-3-5-8/h4,6-7H,2-3,5,8H2,1H3/b7-4-,9-6+.
What are the key properties of (Z)-4-(propylideneamino)but-3-en-1-amine?
(Z)-4-(propylideneamino)but-3-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(propylideneamino)but-3-en-1-amine is sourced from PubChem (CID 143064351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).