N-(propan-2-ylideneamino)but-3-en-2-amine

C7H14N2 — CID 91751207

IUPACN-(propan-2-ylideneamino)but-3-en-2-amine
SMILESC=CC(C)NN=C(C)C
InChIInChI=1S/C7H14N2/c1-5-7(4)9-8-6(2)3/h5,7,9H,1H2,2-4H3
InChIKeyJMIGFDACDABJCD-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds3

About N-(propan-2-ylideneamino)but-3-en-2-amine

N-(propan-2-ylideneamino)but-3-en-2-amine (PubChem CID 91751207) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)but-3-en-2-amine.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)but-3-en-2-amine
PubChem CID91751207
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-(propan-2-ylideneamino)but-3-en-2-amine
SMILESC=CC(C)NN=C(C)C
InChIInChI=1S/C7H14N2/c1-5-7(4)9-8-6(2)3/h5,7,9H,1H2,2-4H3
InChIKeyJMIGFDACDABJCD-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)but-3-en-2-amine?
The IUPAC name of N-(propan-2-ylideneamino)but-3-en-2-amine (CID 91751207) is N-(propan-2-ylideneamino)but-3-en-2-amine.
What is the SMILES notation for N-(propan-2-ylideneamino)but-3-en-2-amine?
The canonical SMILES for N-(propan-2-ylideneamino)but-3-en-2-amine is C=CC(C)NN=C(C)C.
What is the InChIKey of N-(propan-2-ylideneamino)but-3-en-2-amine?
The InChIKey is JMIGFDACDABJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-7(4)9-8-6(2)3/h5,7,9H,1H2,2-4H3.
What are the key properties of N-(propan-2-ylideneamino)but-3-en-2-amine?
N-(propan-2-ylideneamino)but-3-en-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)but-3-en-2-amine is sourced from PubChem (CID 91751207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).