N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline

C14H17N5 — CID 43683913

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline
SMILESC1=CCC(CNc2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C14H17N5/c1-2-5-12(6-3-1)10-15-13-7-4-8-14(9-13)19-11-16-17-18-19/h1-2,4,7-9,11-12,15H,3,5-6,10H2
InChIKeyGGQAUELNQOLFNF-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.43
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline

N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline (PubChem CID 43683913) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline
PubChem CID43683913
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline
SMILESC1=CCC(CNc2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C14H17N5/c1-2-5-12(6-3-1)10-15-13-7-4-8-14(9-13)19-11-16-17-18-19/h1-2,4,7-9,11-12,15H,3,5-6,10H2
InChIKeyGGQAUELNQOLFNF-UHFFFAOYSA-N
XLogP2.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.43
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-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159
1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43205667
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline
CID 43781128
3-(cyclohex-3-en-1-ylmethylamino)benzonitrile
CID 43201265
N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 107234994
N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692027
N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 43683923
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
CID 64920522
3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43683952
N-[(2,5-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 103696972
N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43231375
8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43683977

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline (CID 43683913) is N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline is C1=CCC(CNc2cccc(-n3cnnn3)c2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline?
The InChIKey is GGQAUELNQOLFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-5-12(6-3-1)10-15-13-7-4-8-14(9-13)19-11-16-17-18-19/h1-2,4,7-9,11-12,15H,3,5-6,10H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline?
N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline has a molecular weight of 255.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43683913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).