[3-(3-iminobutyl)phenyl]methanamine

C11H16N2 — CID 157053847

IUPAC[3-(3-iminobutyl)phenyl]methanamine
SMILES[H]/N=C(\C)CCc1cccc(CN)c1
InChIInChI=1S/C11H16N2/c1-9(13)5-6-10-3-2-4-11(7-10)8-12/h2-4,7,13H,5-6,8,12H2,1H3/b13-9+
InChIKeyWUSPUIOOWBBEGE-UKTHLTGXSA-N
MW176.26 g/mol
LogP2.12
Rot. Bonds4

About [3-(3-iminobutyl)phenyl]methanamine

[3-(3-iminobutyl)phenyl]methanamine (PubChem CID 157053847) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is [3-(3-iminobutyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-iminobutyl)phenyl]methanamine
PubChem CID157053847
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name[3-(3-iminobutyl)phenyl]methanamine
SMILES[H]/N=C(\C)CCc1cccc(CN)c1
InChIInChI=1S/C11H16N2/c1-9(13)5-6-10-3-2-4-11(7-10)8-12/h2-4,7,13H,5-6,8,12H2,1H3/b13-9+
InChIKeyWUSPUIOOWBBEGE-UKTHLTGXSA-N
XLogP2.12
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-iminopentyl)phenyl]methanamine
CID 174650282
5-(3-fluorophenyl)pentan-2-imine
CID 157154462
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(3-ethenyl-5-methylhexa-3,5-dienyl)phenyl]methanamine
CID 90978816
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
4-amino-1-[3-(aminomethyl)phenyl]-5-methylhexan-3-one
CID 160914194
[3-(methylsulfanylmethyl)phenyl]methanamine
CID 59652232
2-[3-(2-aminoethyl)phenyl]ethanimidamide
CID 55252678
[3-(aminomethyl)phenyl]methyl acetate
CID 147642201
[3-(2-methylsulfonylethyl)phenyl]methanamine
CID 115028445

Frequently Asked Questions

What is the IUPAC name of [3-(3-iminobutyl)phenyl]methanamine?
The IUPAC name of [3-(3-iminobutyl)phenyl]methanamine (CID 157053847) is [3-(3-iminobutyl)phenyl]methanamine.
What is the SMILES notation for [3-(3-iminobutyl)phenyl]methanamine?
The canonical SMILES for [3-(3-iminobutyl)phenyl]methanamine is [H]/N=C(\C)CCc1cccc(CN)c1.
What is the InChIKey of [3-(3-iminobutyl)phenyl]methanamine?
The InChIKey is WUSPUIOOWBBEGE-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(13)5-6-10-3-2-4-11(7-10)8-12/h2-4,7,13H,5-6,8,12H2,1H3/b13-9+.
What are the key properties of [3-(3-iminobutyl)phenyl]methanamine?
[3-(3-iminobutyl)phenyl]methanamine has a molecular weight of 176.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-iminobutyl)phenyl]methanamine is sourced from PubChem (CID 157053847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).