3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline

C14H19N5 — CID 63829431

IUPAC3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
SMILESCC1(Cn2nnnc2-c2cccc(N)c2)CCCC1
InChIInChI=1S/C14H19N5/c1-14(7-2-3-8-14)10-19-13(16-17-18-19)11-5-4-6-12(15)9-11/h4-6,9H,2-3,7-8,10,15H2,1H3
InChIKeyRWXZPCGPWSTTFV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.50
Rot. Bonds3

About 3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline

3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline (PubChem CID 63829431) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
PubChem CID63829431
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
SMILESCC1(Cn2nnnc2-c2cccc(N)c2)CCCC1
InChIInChI=1S/C14H19N5/c1-14(7-2-3-8-14)10-19-13(16-17-18-19)11-5-4-6-12(15)9-11/h4-6,9H,2-3,7-8,10,15H2,1H3
InChIKeyRWXZPCGPWSTTFV-UHFFFAOYSA-N
XLogP2.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(2,2-dimethylcyclopropyl)methyl]tetrazol-5-yl]aniline
CID 114109267
4-bromo-3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 63829617
3-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]aniline
CID 104765247
3-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]aniline
CID 82228486
3-[1-(1,4-dioxan-2-ylmethyl)tetrazol-5-yl]aniline
CID 61351622
3-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61410113
3-[1-(3-morpholin-4-ylpropyl)tetrazol-5-yl]aniline
CID 82228482
3-(1-cyclohexyltetrazol-5-yl)aniline
CID 61351420
3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119163
1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119330027
3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61352817
3,5-bis(3-aminophenyl)-1,2,4-triazol-4-amine
CID 5302316

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline (CID 63829431) is 3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline is CC1(Cn2nnnc2-c2cccc(N)c2)CCCC1.
What is the InChIKey of 3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is RWXZPCGPWSTTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-14(7-2-3-8-14)10-19-13(16-17-18-19)11-5-4-6-12(15)9-11/h4-6,9H,2-3,7-8,10,15H2,1H3.
What are the key properties of 3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 257.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 63829431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).