2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine

C15H24N2 — CID 174488376

IUPAC2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine
SMILES[H]/N=C/CCCCc1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C15H24N2/c1-15(2,12-17)14-9-7-13(8-10-14)6-4-3-5-11-16/h7-11,16H,3-6,12,17H2,1-2H3/b16-11+
InChIKeyOPUFTKXAQQAOIZ-LFIBNONCSA-N
MW232.37 g/mol
LogP3.29
Rot. Bonds7

About 2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine

2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine (PubChem CID 174488376) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine
PubChem CID174488376
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine
SMILES[H]/N=C/CCCCc1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C15H24N2/c1-15(2,12-17)14-9-7-13(8-10-14)6-4-3-5-11-16/h7-11,16H,3-6,12,17H2,1-2H3/b16-11+
InChIKeyOPUFTKXAQQAOIZ-LFIBNONCSA-N
XLogP3.29
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-iminopentyl)-N,N-dimethylaniline
CID 87880589
4-(4-iminobutyl)phenol
CID 174647473
2-[4-(5-iminopentyl)phenyl]propanenitrile
CID 174488381
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
CID 129085386
[4-(5-iminopentyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 174477860
2-methyl-2-(4-methylphenyl)propan-1-amine;propane
CID 143028408
3-iminopropyl 4-(4-heptylphenyl)benzoate
CID 143394535
2-methyl-2-(4-phenylphenyl)propan-1-amine
CID 56687090
1-tert-butyl-4-undecylbenzene
CID 162402478
3-(4-pentoxyphenyl)propan-1-imine
CID 163965079
N-tert-butyl-4-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66260180

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine (CID 174488376) is 2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine is [H]/N=C/CCCCc1ccc(C(C)(C)CN)cc1.
What is the InChIKey of 2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine?
The InChIKey is OPUFTKXAQQAOIZ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,12-17)14-9-7-13(8-10-14)6-4-3-5-11-16/h7-11,16H,3-6,12,17H2,1-2H3/b16-11+.
What are the key properties of 2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine?
2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 174488376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).