1-(propan-2-ylideneamino)butan-1-amine

C7H16N2 — CID 91281743

IUPAC1-(propan-2-ylideneamino)butan-1-amine
SMILESCCCC(N)N=C(C)C
InChIInChI=1S/C7H16N2/c1-4-5-7(8)9-6(2)3/h7H,4-5,8H2,1-3H3
InChIKeyOXTBRRGJWKLXMN-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.55
Rot. Bonds3

About 1-(propan-2-ylideneamino)butan-1-amine

1-(propan-2-ylideneamino)butan-1-amine (PubChem CID 91281743) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-(propan-2-ylideneamino)butan-1-amine.

Molecular Properties

Compound Name1-(propan-2-ylideneamino)butan-1-amine
PubChem CID91281743
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-(propan-2-ylideneamino)butan-1-amine
SMILESCCCC(N)N=C(C)C
InChIInChI=1S/C7H16N2/c1-4-5-7(8)9-6(2)3/h7H,4-5,8H2,1-3H3
InChIKeyOXTBRRGJWKLXMN-UHFFFAOYSA-N
XLogP1.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.55
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)butan-1-amine?
The IUPAC name of 1-(propan-2-ylideneamino)butan-1-amine (CID 91281743) is 1-(propan-2-ylideneamino)butan-1-amine.
What is the SMILES notation for 1-(propan-2-ylideneamino)butan-1-amine?
The canonical SMILES for 1-(propan-2-ylideneamino)butan-1-amine is CCCC(N)N=C(C)C.
What is the InChIKey of 1-(propan-2-ylideneamino)butan-1-amine?
The InChIKey is OXTBRRGJWKLXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-5-7(8)9-6(2)3/h7H,4-5,8H2,1-3H3.
What are the key properties of 1-(propan-2-ylideneamino)butan-1-amine?
1-(propan-2-ylideneamino)butan-1-amine has a molecular weight of 128.22 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 1-(propan-2-ylideneamino)butan-1-amine is sourced from PubChem (CID 91281743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).