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

C10H18N2 — CID 137489415

IUPAC2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine
SMILESCC(C)=C/N=C(\C)C(N)=C(C)C
InChIInChI=1S/C10H18N2/c1-7(2)6-12-9(5)10(11)8(3)4/h6H,11H2,1-5H3/b12-9+
InChIKeyNULXAQHIOHCNSC-FMIVXFBMSA-N
MW166.27 g/mol
LogP2.62
Rot. Bonds2

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

2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine (PubChem CID 137489415) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine.

Molecular Properties

Compound Name2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine
PubChem CID137489415
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine
SMILESCC(C)=C/N=C(\C)C(N)=C(C)C
InChIInChI=1S/C10H18N2/c1-7(2)6-12-9(5)10(11)8(3)4/h6H,11H2,1-5H3/b12-9+
InChIKeyNULXAQHIOHCNSC-FMIVXFBMSA-N
XLogP2.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.62
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 2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine?
The IUPAC name of 2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine (CID 137489415) is 2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine.
What is the SMILES notation for 2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine?
The canonical SMILES for 2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine is CC(C)=C/N=C(\C)C(N)=C(C)C.
What is the InChIKey of 2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine?
The InChIKey is NULXAQHIOHCNSC-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)6-12-9(5)10(11)8(3)4/h6H,11H2,1-5H3/b12-9+.
What are the key properties of 2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine?
2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine has a molecular weight of 166.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine is sourced from PubChem (CID 137489415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).