4-imino-N,N,3-trimethylpent-1-en-2-amine

C8H16N2 — CID 129043603

IUPAC4-imino-N,N,3-trimethylpent-1-en-2-amine
SMILES[H]/N=C(\C)C(C)C(=C)N(C)C
InChIInChI=1S/C8H16N2/c1-6(7(2)9)8(3)10(4)5/h6,9H,3H2,1-2,4-5H3/b9-7+
InChIKeyJBDKBXUWJPCWMM-VQHVLOKHSA-N
MW140.23 g/mol
LogP1.74
Rot. Bonds3

About 4-imino-N,N,3-trimethylpent-1-en-2-amine

4-imino-N,N,3-trimethylpent-1-en-2-amine (PubChem CID 129043603) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-imino-N,N,3-trimethylpent-1-en-2-amine.

Molecular Properties

Compound Name4-imino-N,N,3-trimethylpent-1-en-2-amine
PubChem CID129043603
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-imino-N,N,3-trimethylpent-1-en-2-amine
SMILES[H]/N=C(\C)C(C)C(=C)N(C)C
InChIInChI=1S/C8H16N2/c1-6(7(2)9)8(3)10(4)5/h6,9H,3H2,1-2,4-5H3/b9-7+
InChIKeyJBDKBXUWJPCWMM-VQHVLOKHSA-N
XLogP1.74
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 ≤ 51.74
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 4-imino-N,N,3-trimethylpent-1-en-2-amine?
The IUPAC name of 4-imino-N,N,3-trimethylpent-1-en-2-amine (CID 129043603) is 4-imino-N,N,3-trimethylpent-1-en-2-amine.
What is the SMILES notation for 4-imino-N,N,3-trimethylpent-1-en-2-amine?
The canonical SMILES for 4-imino-N,N,3-trimethylpent-1-en-2-amine is [H]/N=C(\C)C(C)C(=C)N(C)C.
What is the InChIKey of 4-imino-N,N,3-trimethylpent-1-en-2-amine?
The InChIKey is JBDKBXUWJPCWMM-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(7(2)9)8(3)10(4)5/h6,9H,3H2,1-2,4-5H3/b9-7+.
What are the key properties of 4-imino-N,N,3-trimethylpent-1-en-2-amine?
4-imino-N,N,3-trimethylpent-1-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N,N,3-trimethylpent-1-en-2-amine is sourced from PubChem (CID 129043603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).