(Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine

C7H14N2 — CID 88874563

IUPAC(Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine
SMILESCC/C(C)=N/C(C)=C\N
InChIInChI=1S/C7H14N2/c1-4-6(2)9-7(3)5-8/h5H,4,8H2,1-3H3/b7-5-,9-6+
InChIKeyCINJMWWEARCIRR-XCZNYUDNSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds2

About (Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine

(Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine (PubChem CID 88874563) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine
PubChem CID88874563
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine
SMILESCC/C(C)=N/C(C)=C\N
InChIInChI=1S/C7H14N2/c1-4-6(2)9-7(3)5-8/h5H,4,8H2,1-3H3/b7-5-,9-6+
InChIKeyCINJMWWEARCIRR-XCZNYUDNSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.68
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)-2-(butan-2-ylideneamino)prop-1-en-1-amine?
The IUPAC name of (Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine (CID 88874563) is (Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine?
The canonical SMILES for (Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine is CC/C(C)=N/C(C)=C\N.
What is the InChIKey of (Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine?
The InChIKey is CINJMWWEARCIRR-XCZNYUDNSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6(2)9-7(3)5-8/h5H,4,8H2,1-3H3/b7-5-,9-6+.
What are the key properties of (Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine?
(Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(butan-2-ylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 88874563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).