N-ethyl-3-imino-N-methylbutan-2-amine

C7H16N2 — CID 123369029

IUPACN-ethyl-3-imino-N-methylbutan-2-amine
SMILES[H]/N=C(\C)C(C)N(C)CC
InChIInChI=1S/C7H16N2/c1-5-9(4)7(3)6(2)8/h7-8H,5H2,1-4H3/b8-6+
InChIKeyTUXFHITWILMSCG-SOFGYWHQSA-N
MW128.22 g/mol
LogP1.37
Rot. Bonds3

About N-ethyl-3-imino-N-methylbutan-2-amine

N-ethyl-3-imino-N-methylbutan-2-amine (PubChem CID 123369029) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-ethyl-3-imino-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-imino-N-methylbutan-2-amine
PubChem CID123369029
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-ethyl-3-imino-N-methylbutan-2-amine
SMILES[H]/N=C(\C)C(C)N(C)CC
InChIInChI=1S/C7H16N2/c1-5-9(4)7(3)6(2)8/h7-8H,5H2,1-4H3/b8-6+
InChIKeyTUXFHITWILMSCG-SOFGYWHQSA-N
XLogP1.37
TPSA27.09 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 ≤ 51.37
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 N-ethyl-3-imino-N-methylbutan-2-amine?
The IUPAC name of N-ethyl-3-imino-N-methylbutan-2-amine (CID 123369029) is N-ethyl-3-imino-N-methylbutan-2-amine.
What is the SMILES notation for N-ethyl-3-imino-N-methylbutan-2-amine?
The canonical SMILES for N-ethyl-3-imino-N-methylbutan-2-amine is [H]/N=C(\C)C(C)N(C)CC.
What is the InChIKey of N-ethyl-3-imino-N-methylbutan-2-amine?
The InChIKey is TUXFHITWILMSCG-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-9(4)7(3)6(2)8/h7-8H,5H2,1-4H3/b8-6+.
What are the key properties of N-ethyl-3-imino-N-methylbutan-2-amine?
N-ethyl-3-imino-N-methylbutan-2-amine has a molecular weight of 128.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-imino-N-methylbutan-2-amine is sourced from PubChem (CID 123369029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).