N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline

C15H17N5 — CID 43781128

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline
SMILESC1=CC2CC1CC2CNc1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H17N5/c1-2-14(8-15(3-1)20-10-17-18-19-20)16-9-13-7-11-4-5-12(13)6-11/h1-5,8,10-13,16H,6-7,9H2
InChIKeyQDRHPGDYMWGCOV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.29
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline (PubChem CID 43781128) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline
PubChem CID43781128
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline
SMILESC1=CC2CC1CC2CNc1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H17N5/c1-2-14(8-15(3-1)20-10-17-18-19-20)16-9-13-7-11-4-5-12(13)6-11/h1-5,8,10-13,16H,6-7,9H2
InChIKeyQDRHPGDYMWGCOV-UHFFFAOYSA-N
XLogP2.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 43789577
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 99794196
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-bromo-5-(tetrazol-1-yl)benzamide
CID 99794203
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 43683913
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
CID 98119288
N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 107234994
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methyl-3-(tetrazol-1-yl)benzamide
CID 99731798
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methyl-3-(tetrazol-1-yl)benzamide
CID 99731800
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
CID 43683982

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline (CID 43781128) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline is C1=CC2CC1CC2CNc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline?
The InChIKey is QDRHPGDYMWGCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-14(8-15(3-1)20-10-17-18-19-20)16-9-13-7-11-4-5-12(13)6-11/h1-5,8,10-13,16H,6-7,9H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline has a molecular weight of 267.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43781128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).