3-imino-N,N-dimethylbutan-1-amine

C6H14N2 — CID 87415079

IUPAC3-imino-N,N-dimethylbutan-1-amine
SMILES[H]/N=C(\C)CCN(C)C
InChIInChI=1S/C6H14N2/c1-6(7)4-5-8(2)3/h7H,4-5H2,1-3H3/b7-6+
InChIKeySZKLDGIEFNCTPI-VOTSOKGWSA-N
MW114.19 g/mol
LogP0.98
Rot. Bonds3

About 3-imino-N,N-dimethylbutan-1-amine

3-imino-N,N-dimethylbutan-1-amine (PubChem CID 87415079) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-imino-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-imino-N,N-dimethylbutan-1-amine
PubChem CID87415079
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name3-imino-N,N-dimethylbutan-1-amine
SMILES[H]/N=C(\C)CCN(C)C
InChIInChI=1S/C6H14N2/c1-6(7)4-5-8(2)3/h7H,4-5H2,1-3H3/b7-6+
InChIKeySZKLDGIEFNCTPI-VOTSOKGWSA-N
XLogP0.98
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.98
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 3-imino-N,N-dimethylbutan-1-amine?
The IUPAC name of 3-imino-N,N-dimethylbutan-1-amine (CID 87415079) is 3-imino-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 3-imino-N,N-dimethylbutan-1-amine?
The canonical SMILES for 3-imino-N,N-dimethylbutan-1-amine is [H]/N=C(\C)CCN(C)C.
What is the InChIKey of 3-imino-N,N-dimethylbutan-1-amine?
The InChIKey is SZKLDGIEFNCTPI-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(7)4-5-8(2)3/h7H,4-5H2,1-3H3/b7-6+.
What are the key properties of 3-imino-N,N-dimethylbutan-1-amine?
3-imino-N,N-dimethylbutan-1-amine has a molecular weight of 114.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 87415079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).