N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline

C16H19N5 — CID 43789577

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCC2CC3C=CC2C3)cc1-n1cnnn1
InChIInChI=1S/C16H19N5/c1-11-2-5-15(8-16(11)21-10-18-19-20-21)17-9-14-7-12-3-4-13(14)6-12/h2-5,8,10,12-14,17H,6-7,9H2,1H3
InChIKeySAKQWXDGZUFWBB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.59
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline (PubChem CID 43789577) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline
PubChem CID43789577
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NCC2CC3C=CC2C3)cc1-n1cnnn1
InChIInChI=1S/C16H19N5/c1-11-2-5-15(8-16(11)21-10-18-19-20-21)17-9-14-7-12-3-4-13(14)6-12/h2-5,8,10,12-14,17H,6-7,9H2,1H3
InChIKeySAKQWXDGZUFWBB-UHFFFAOYSA-N
XLogP2.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.59
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-[[(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
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline
CID 43781128
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 82835839
4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62659787
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
CID 110006499
N-(2,2-dimethoxyethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 55231877
1-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclobutane-1,3-diamine
CID 80560812
4-methyl-N-(pyrimidin-5-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 62760471
N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 60780934
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441751

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline (CID 43789577) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline is Cc1ccc(NCC2CC3C=CC2C3)cc1-n1cnnn1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline?
The InChIKey is SAKQWXDGZUFWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-2-5-15(8-16(11)21-10-18-19-20-21)17-9-14-7-12-3-4-13(14)6-12/h2-5,8,10,12-14,17H,6-7,9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methyl-3-(tetrazol-1-yl)aniline has a molecular weight of 281.36 g/mol, XLogP of 2.59, 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)-4-methyl-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43789577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).