4-methyl-3-(methyliminomethyl)pent-2-en-2-amine

C8H16N2 — CID 163439776

IUPAC4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
SMILESC/N=C/C(=C(C)N)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(5-10-4)7(3)9/h5-6H,9H2,1-4H3/b8-7?,10-5+
InChIKeySLXOXEHARHNMFT-KLQKCIPISA-N
MW140.23 g/mol
LogP1.58
Rot. Bonds2

About 4-methyl-3-(methyliminomethyl)pent-2-en-2-amine

4-methyl-3-(methyliminomethyl)pent-2-en-2-amine (PubChem CID 163439776) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methyl-3-(methyliminomethyl)pent-2-en-2-amine.

Molecular Properties

Compound Name4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
PubChem CID163439776
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
SMILESC/N=C/C(=C(C)N)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(5-10-4)7(3)9/h5-6H,9H2,1-4H3/b8-7?,10-5+
InChIKeySLXOXEHARHNMFT-KLQKCIPISA-N
XLogP1.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.58
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-3-(methyliminomethyl)pent-2-en-2-amine?
The IUPAC name of 4-methyl-3-(methyliminomethyl)pent-2-en-2-amine (CID 163439776) is 4-methyl-3-(methyliminomethyl)pent-2-en-2-amine.
What is the SMILES notation for 4-methyl-3-(methyliminomethyl)pent-2-en-2-amine?
The canonical SMILES for 4-methyl-3-(methyliminomethyl)pent-2-en-2-amine is C/N=C/C(=C(C)N)C(C)C.
What is the InChIKey of 4-methyl-3-(methyliminomethyl)pent-2-en-2-amine?
The InChIKey is SLXOXEHARHNMFT-KLQKCIPISA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)8(5-10-4)7(3)9/h5-6H,9H2,1-4H3/b8-7?,10-5+.
What are the key properties of 4-methyl-3-(methyliminomethyl)pent-2-en-2-amine?
4-methyl-3-(methyliminomethyl)pent-2-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methyliminomethyl)pent-2-en-2-amine is sourced from PubChem (CID 163439776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).