4-methyl-1-methyliminopent-2-en-3-amine

C7H14N2 — CID 147384750

IUPAC4-methyl-1-methyliminopent-2-en-3-amine
SMILESC/N=C/C=C(N)C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(8)4-5-9-3/h4-6H,8H2,1-3H3/b7-4?,9-5+
InChIKeyPHQNXGBOTCLWBD-YAPARRTASA-N
MW126.20 g/mol
LogP1.19
Rot. Bonds2

About 4-methyl-1-methyliminopent-2-en-3-amine

4-methyl-1-methyliminopent-2-en-3-amine (PubChem CID 147384750) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-methyl-1-methyliminopent-2-en-3-amine.

Molecular Properties

Compound Name4-methyl-1-methyliminopent-2-en-3-amine
PubChem CID147384750
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name4-methyl-1-methyliminopent-2-en-3-amine
SMILESC/N=C/C=C(N)C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(8)4-5-9-3/h4-6H,8H2,1-3H3/b7-4?,9-5+
InChIKeyPHQNXGBOTCLWBD-YAPARRTASA-N
XLogP1.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.19
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-methyl-1-methyliminopent-2-en-3-amine?
The IUPAC name of 4-methyl-1-methyliminopent-2-en-3-amine (CID 147384750) is 4-methyl-1-methyliminopent-2-en-3-amine.
What is the SMILES notation for 4-methyl-1-methyliminopent-2-en-3-amine?
The canonical SMILES for 4-methyl-1-methyliminopent-2-en-3-amine is C/N=C/C=C(N)C(C)C.
What is the InChIKey of 4-methyl-1-methyliminopent-2-en-3-amine?
The InChIKey is PHQNXGBOTCLWBD-YAPARRTASA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7(8)4-5-9-3/h4-6H,8H2,1-3H3/b7-4?,9-5+.
What are the key properties of 4-methyl-1-methyliminopent-2-en-3-amine?
4-methyl-1-methyliminopent-2-en-3-amine has a molecular weight of 126.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methyliminopent-2-en-3-amine is sourced from PubChem (CID 147384750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).