N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline

C14H17N — CID 93281000

IUPACN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
SMILESC1=C[C@H]2C[C@@H]1C[C@H]2CNc1ccccc1
InChIInChI=1S/C14H17N/c1-2-4-14(5-3-1)15-10-13-9-11-6-7-12(13)8-11/h1-7,11-13,15H,8-10H2/t11-,12+,13+/m1/s1
InChIKeyGTZPXNKIRYPRGU-AGIUHOORSA-N
MW199.30 g/mol
LogP3.31
Rot. Bonds3

About N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline

N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline (PubChem CID 93281000) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline.

Molecular Properties

Compound NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
PubChem CID93281000
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
SMILESC1=C[C@H]2C[C@@H]1C[C@H]2CNc1ccccc1
InChIInChI=1S/C14H17N/c1-2-4-14(5-3-1)15-10-13-9-11-6-7-12(13)8-11/h1-7,11-13,15H,8-10H2/t11-,12+,13+/m1/s1
InChIKeyGTZPXNKIRYPRGU-AGIUHOORSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
CID 98119288
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-bromoaniline
CID 43762851
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778721
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide
CID 43787041
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline
CID 43760335
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline
CID 43769752
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43784813
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione
CID 122158633
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-phenylacetamide
CID 134224964

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline?
The IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline (CID 93281000) is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline.
What is the SMILES notation for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline?
The canonical SMILES for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline is C1=C[C@H]2C[C@@H]1C[C@H]2CNc1ccccc1.
What is the InChIKey of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline?
The InChIKey is GTZPXNKIRYPRGU-AGIUHOORSA-N. The full InChI is InChI=1S/C14H17N/c1-2-4-14(5-3-1)15-10-13-9-11-6-7-12(13)8-11/h1-7,11-13,15H,8-10H2/t11-,12+,13+/m1/s1.
What are the key properties of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline?
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline has a molecular weight of 199.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline is sourced from PubChem (CID 93281000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).