3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine

C13H18N6 — CID 79461547

IUPAC3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
SMILESCc1ccc(-n2cnnn2)cc1NC1CCC(N)C1
InChIInChI=1S/C13H18N6/c1-9-2-5-12(19-8-15-17-18-19)7-13(9)16-11-4-3-10(14)6-11/h2,5,7-8,10-11,16H,3-4,6,14H2,1H3
InChIKeyCCZCFYSKDKEHJN-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.26
Rot. Bonds3

About 3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine

3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine (PubChem CID 79461547) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
PubChem CID79461547
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
SMILESCc1ccc(-n2cnnn2)cc1NC1CCC(N)C1
InChIInChI=1S/C13H18N6/c1-9-2-5-12(19-8-15-17-18-19)7-13(9)16-11-4-3-10(14)6-11/h2,5,7-8,10-11,16H,3-4,6,14H2,1H3
InChIKeyCCZCFYSKDKEHJN-UHFFFAOYSA-N
XLogP1.26
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline
CID 64732994
3-N-[4-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
CID 79462927
3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine
CID 79461969
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364049
2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62384673
2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
CID 43697984
4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol
CID 106593857
1-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclobutane-1,3-diamine
CID 80560812
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 133129447
2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940554
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 54864011

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine (CID 79461547) is 3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine is Cc1ccc(-n2cnnn2)cc1NC1CCC(N)C1.
What is the InChIKey of 3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine?
The InChIKey is CCZCFYSKDKEHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-2-5-12(19-8-15-17-18-19)7-13(9)16-11-4-3-10(14)6-11/h2,5,7-8,10-11,16H,3-4,6,14H2,1H3.
What are the key properties of 3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine?
3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine has a molecular weight of 258.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79461547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).