3-imino-N,N,4-trimethylpent-4-en-2-amine

C8H16N2 — CID 167458890

IUPAC3-imino-N,N,4-trimethylpent-4-en-2-amine
SMILES[H]/N=C(\C(=C)C)C(C)N(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(9)7(3)10(4)5/h7,9H,1H2,2-5H3/b9-8+
InChIKeyBJFMCSVSSQYYAG-CMDGGOBGSA-N
MW140.23 g/mol
LogP1.53
Rot. Bonds3

About 3-imino-N,N,4-trimethylpent-4-en-2-amine

3-imino-N,N,4-trimethylpent-4-en-2-amine (PubChem CID 167458890) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-imino-N,N,4-trimethylpent-4-en-2-amine.

Molecular Properties

Compound Name3-imino-N,N,4-trimethylpent-4-en-2-amine
PubChem CID167458890
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-imino-N,N,4-trimethylpent-4-en-2-amine
SMILES[H]/N=C(\C(=C)C)C(C)N(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(9)7(3)10(4)5/h7,9H,1H2,2-5H3/b9-8+
InChIKeyBJFMCSVSSQYYAG-CMDGGOBGSA-N
XLogP1.53
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.53
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,4-trimethylpent-4-en-2-amine?
The IUPAC name of 3-imino-N,N,4-trimethylpent-4-en-2-amine (CID 167458890) is 3-imino-N,N,4-trimethylpent-4-en-2-amine.
What is the SMILES notation for 3-imino-N,N,4-trimethylpent-4-en-2-amine?
The canonical SMILES for 3-imino-N,N,4-trimethylpent-4-en-2-amine is [H]/N=C(\C(=C)C)C(C)N(C)C.
What is the InChIKey of 3-imino-N,N,4-trimethylpent-4-en-2-amine?
The InChIKey is BJFMCSVSSQYYAG-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)8(9)7(3)10(4)5/h7,9H,1H2,2-5H3/b9-8+.
What are the key properties of 3-imino-N,N,4-trimethylpent-4-en-2-amine?
3-imino-N,N,4-trimethylpent-4-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.53, 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,4-trimethylpent-4-en-2-amine is sourced from PubChem (CID 167458890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).