3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine

C10H16N2 — CID 167079237

IUPAC3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine
SMILESC=C(N)C(=C)/C(C)=N/C=C(C)C
InChIInChI=1S/C10H16N2/c1-7(2)6-12-10(5)8(3)9(4)11/h6H,3-4,11H2,1-2,5H3/b12-10+
InChIKeyHWDZRQPIHNDRAK-ZRDIBKRKSA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds3

About 3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine

3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine (PubChem CID 167079237) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine.

Molecular Properties

Compound Name3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine
PubChem CID167079237
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine
SMILESC=C(N)C(=C)/C(C)=N/C=C(C)C
InChIInChI=1S/C10H16N2/c1-7(2)6-12-10(5)8(3)9(4)11/h6H,3-4,11H2,1-2,5H3/b12-10+
InChIKeyHWDZRQPIHNDRAK-ZRDIBKRKSA-N
XLogP2.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine?
The IUPAC name of 3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine (CID 167079237) is 3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine.
What is the SMILES notation for 3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine?
The canonical SMILES for 3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine is C=C(N)C(=C)/C(C)=N/C=C(C)C.
What is the InChIKey of 3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine?
The InChIKey is HWDZRQPIHNDRAK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)6-12-10(5)8(3)9(4)11/h6H,3-4,11H2,1-2,5H3/b12-10+.
What are the key properties of 3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine?
3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine has a molecular weight of 164.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine is sourced from PubChem (CID 167079237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).