1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine

C11H19N5 — CID 103276703

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESCC1=CC(C)CC(CNCc2nn[nH]n2)C1
InChIInChI=1S/C11H19N5/c1-8-3-9(2)5-10(4-8)6-12-7-11-13-15-16-14-11/h3,8,10,12H,4-7H2,1-2H3,(H,13,14,15,16)
InChIKeyUDLSMULYZNBWGH-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.28
Rot. Bonds4

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine (PubChem CID 103276703) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
PubChem CID103276703
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESCC1=CC(C)CC(CNCc2nn[nH]n2)C1
InChIInChI=1S/C11H19N5/c1-8-3-9(2)5-10(4-8)6-12-7-11-13-15-16-14-11/h3,8,10,12H,4-7H2,1-2H3,(H,13,14,15,16)
InChIKeyUDLSMULYZNBWGH-UHFFFAOYSA-N
XLogP1.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

US9663479, Formula 1 (Racemic)
CID 118181338
N-[[(1S,5R,6R)-3-ethyl-6-(2H-tetrazol-5-ylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methyl]ethanamine
CID 122653797
N-[[3-ethyl-6-(2H-tetrazol-5-ylmethyl)-6-bicyclo[3.2.0]hept-3-enyl]methyl]ethanamine
CID 123456741
2-[(3-ethylcyclopent-3-en-1-yl)methyl]-3-(2H-tetrazol-5-yl)propan-1-amine
CID 123831912
1-(3-ethyl-6-bicyclo[3.2.0]hept-3-enyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 123928453
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(2H-tetrazol-5-yl)ethyl]ethanamine
CID 61852314
N-(cyclohex-3-en-1-ylmethyl)-1-(2H-tetrazol-5-yl)ethanamine
CID 61853239
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(2H-tetrazol-5-yl)ethanamine
CID 61853277
1-cyclohex-3-en-1-yl-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 61854294
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 61854719
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine
CID 61856518
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 103276702

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine (CID 103276703) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine is CC1=CC(C)CC(CNCc2nn[nH]n2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The InChIKey is UDLSMULYZNBWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8-3-9(2)5-10(4-8)6-12-7-11-13-15-16-14-11/h3,8,10,12H,4-7H2,1-2H3,(H,13,14,15,16).
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine has a molecular weight of 221.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 103276703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).