3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine

C7H15N3 — CID 15520809

IUPAC3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine
SMILESCC(CCN(C)C)N=C=N
InChIInChI=1S/C7H15N3/c1-7(9-6-8)4-5-10(2)3/h7-8H,4-5H2,1-3H3
InChIKeyVLHULIGNPOSUFL-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.08
Rot. Bonds4

About 3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine

3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine (PubChem CID 15520809) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine
PubChem CID15520809
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine
SMILESCC(CCN(C)C)N=C=N
InChIInChI=1S/C7H15N3/c1-7(9-6-8)4-5-10(2)3/h7-8H,4-5H2,1-3H3
InChIKeyVLHULIGNPOSUFL-UHFFFAOYSA-N
XLogP1.08
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(iminomethylideneamino)-N,N-dimethylbutan-1-amine?
The IUPAC name of 3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine (CID 15520809) is 3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine is CC(CCN(C)C)N=C=N.
What is the InChIKey of 3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine?
The InChIKey is VLHULIGNPOSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-7(9-6-8)4-5-10(2)3/h7-8H,4-5H2,1-3H3.
What are the key properties of 3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine?
3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine has a molecular weight of 141.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iminomethylideneamino)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 15520809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).