N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine

C14H18ClN5 — CID 102637752

IUPACN-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine
SMILESCN(c1nnnn1-c1ccccc1)C1CCCCC1Cl
InChIInChI=1S/C14H18ClN5/c1-19(13-10-6-5-9-12(13)15)14-16-17-18-20(14)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeySLEABMPFDOQXEU-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.65
Rot. Bonds3

About N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine

N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine (PubChem CID 102637752) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine
PubChem CID102637752
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC NameN-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine
SMILESCN(c1nnnn1-c1ccccc1)C1CCCCC1Cl
InChIInChI=1S/C14H18ClN5/c1-19(13-10-6-5-9-12(13)15)14-16-17-18-20(14)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeySLEABMPFDOQXEU-UHFFFAOYSA-N
XLogP2.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-(1-phenyltetrazol-5-yl)amino]cyclohexan-1-ol
CID 102636016
1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79118869
N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine
CID 63388458
2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 62637944
N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
CID 63392081
N-(2-chloroethyl)-1-phenyl-N-propyltetrazol-5-amine
CID 55184250
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 55090772
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
N-[(Z)-benzylideneamino]-N-methyl-1-phenyltetrazol-5-amine
CID 6152131
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine?
The IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine (CID 102637752) is N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine is CN(c1nnnn1-c1ccccc1)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine?
The InChIKey is SLEABMPFDOQXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-19(13-10-6-5-9-12(13)15)14-16-17-18-20(14)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3.
What are the key properties of N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine?
N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine has a molecular weight of 291.79 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine is sourced from PubChem (CID 102637752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).