2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine

C14H22N2 — CID 166731643

IUPAC2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine
SMILESC/C(=N\CC(C)C)c1ccc(CCN)cc1
InChIInChI=1S/C14H22N2/c1-11(2)10-16-12(3)14-6-4-13(5-7-14)8-9-15/h4-7,11H,8-10,15H2,1-3H3/b16-12+
InChIKeyWKMCWFADNSUFRU-FOWTUZBSSA-N
MW218.34 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine

2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine (PubChem CID 166731643) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine
PubChem CID166731643
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine
SMILESC/C(=N\CC(C)C)c1ccc(CCN)cc1
InChIInChI=1S/C14H22N2/c1-11(2)10-16-12(3)14-6-4-13(5-7-14)8-9-15/h4-7,11H,8-10,15H2,1-3H3/b16-12+
InChIKeyWKMCWFADNSUFRU-FOWTUZBSSA-N
XLogP2.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.65
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-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine (CID 166731643) is 2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine is C/C(=N\CC(C)C)c1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine?
The InChIKey is WKMCWFADNSUFRU-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)10-16-12(3)14-6-4-13(5-7-14)8-9-15/h4-7,11H,8-10,15H2,1-3H3/b16-12+.
What are the key properties of 2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine?
2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[C-methyl-N-(2-methylpropyl)carbonimidoyl]phenyl]ethanamine is sourced from PubChem (CID 166731643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).