3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide

C15H20N6O — CID 119778405

IUPAC3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C15H20N6O/c16-13-3-1-2-12(8-13)15(22)17-9-10-4-6-11(7-5-10)14-18-20-21-19-14/h4-7,12-13H,1-3,8-9,16H2,(H,17,22)(H,18,19,20,21)
InChIKeyJRPSDPUVCUKUQV-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.00
Rot. Bonds4

About 3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide

3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119778405) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119778405
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C15H20N6O/c16-13-3-1-2-12(8-13)15(22)17-9-10-4-6-11(7-5-10)14-18-20-21-19-14/h4-7,12-13H,1-3,8-9,16H2,(H,17,22)(H,18,19,20,21)
InChIKeyJRPSDPUVCUKUQV-UHFFFAOYSA-N
XLogP1.00
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119769691
3-amino-N-[(4-nitrophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119708431
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide
CID 136524906
3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
CID 119676103
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689646
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide (CID 119778405) is 3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1.
What is the InChIKey of 3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is JRPSDPUVCUKUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c16-13-3-1-2-12(8-13)15(22)17-9-10-4-6-11(7-5-10)14-18-20-21-19-14/h4-7,12-13H,1-3,8-9,16H2,(H,17,22)(H,18,19,20,21).
What are the key properties of 3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide?
3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119778405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).