N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H20N2O — CID 81089916

IUPACN-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNCc1ccc(CNC(=O)C2CC3C=CC2C3)cc1
InChIInChI=1S/C16H20N2O/c17-9-11-1-3-12(4-2-11)10-18-16(19)15-8-13-5-6-14(15)7-13/h1-6,13-15H,7-10,17H2,(H,18,19)
InChIKeyBDDDNSABIVQYCU-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.97
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 81089916) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID81089916
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNCc1ccc(CNC(=O)C2CC3C=CC2C3)cc1
InChIInChI=1S/C16H20N2O/c17-9-11-1-3-12(4-2-11)10-18-16(19)15-8-13-5-6-14(15)7-13/h1-6,13-15H,7-10,17H2,(H,18,19)
InChIKeyBDDDNSABIVQYCU-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 116649982
(1R,2S,4S)-N-[[4-(dimethylamino)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98416971
5-[(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099828
5-[[[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 90653945
N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 61284123
(1R,2S,4S)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98384572
(1R,2S,4S)-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98165229
(1R,2S,4R)-N-(3H-benzimidazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide;formic acid
CID 154922151
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid
CID 24691859
N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60983050
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4536713
N-(2-amino-2-phenylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 55177352

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 81089916) is N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is NCc1ccc(CNC(=O)C2CC3C=CC2C3)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is BDDDNSABIVQYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-9-11-1-3-12(4-2-11)10-18-16(19)15-8-13-5-6-14(15)7-13/h1-6,13-15H,7-10,17H2,(H,18,19).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 81089916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).