1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine

C14H16N- — CID 91928103

IUPAC1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCc2cc[cH-]c2)cc1
InChIInChI=1S/C14H16N/c1-12-6-8-14(9-7-12)11-15-10-13-4-2-3-5-13/h2-9,15H,10-11H2,1H3/q-1
InChIKeyARMBEGSTVOLHOU-UHFFFAOYSA-N
MW198.29 g/mol
LogP3.00
Rot. Bonds4

About 1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine

1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine (PubChem CID 91928103) has the molecular formula C14H16N- and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine
PubChem CID91928103
Molecular FormulaC14H16N-
Molecular Weight198.29 g/mol
Exact Mass198.13
IUPAC Name1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCc2cc[cH-]c2)cc1
InChIInChI=1S/C14H16N/c1-12-6-8-14(9-7-12)11-15-10-13-4-2-3-5-13/h2-9,15H,10-11H2,1H3/q-1
InChIKeyARMBEGSTVOLHOU-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
1-cyclopenta-1,4-dien-1-yl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine
CID 91928151
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54443276
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
2-[(4-methylphenyl)methylamino]ethanethiol
CID 14306202
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
1-(4-methylphenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 29273379
1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
CID 17332527
N-[(5-fluorothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 122165798

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine (CID 91928103) is 1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine is Cc1ccc(CNCc2cc[cH-]c2)cc1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine?
The InChIKey is ARMBEGSTVOLHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N/c1-12-6-8-14(9-7-12)11-15-10-13-4-2-3-5-13/h2-9,15H,10-11H2,1H3/q-1.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine?
1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine has a molecular weight of 198.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-N-[(4-methylphenyl)methyl]methanamine is sourced from PubChem (CID 91928103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).