N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C12H21N5O — CID 45494045

IUPACN-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C12H21N5O/c1-10(2)8-13-11(18)12(6-4-3-5-7-12)17-9-14-15-16-17/h9-10H,3-8H2,1-2H3,(H,13,18)
InChIKeyQZODGMYQCRGDBS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.10
Rot. Bonds4

About N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 45494045) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID45494045
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)CNC(=O)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C12H21N5O/c1-10(2)8-13-11(18)12(6-4-3-5-7-12)17-9-14-15-16-17/h9-10H,3-8H2,1-2H3,(H,13,18)
InChIKeyQZODGMYQCRGDBS-UHFFFAOYSA-N
XLogP1.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 45492212
N-(propan-2-yl)-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 45492916
N-(3-methylcyclohexyl)-2-(tetrazol-1-yl)acetamide
CID 45810314
trans-N-pentyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49654807
N-cycloheptyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49656066
trans-N-(propan-2-yl)-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49655201
[1-(Tetrazol-1-yl)cyclohexyl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 138025000
4-[[1-(Tetrazol-1-yl)cyclohexanecarbonyl]amino]piperidine-1-sulfonyl fluoride
CID 166414325
N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 42947733
N-cyclooctyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49654290
trans-N-cyclohexyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49655441
N-cyclopentyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49657327

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 45494045) is N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is CC(C)CNC(=O)C1(n2cnnn2)CCCCC1.
What is the InChIKey of N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is QZODGMYQCRGDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10(2)8-13-11(18)12(6-4-3-5-7-12)17-9-14-15-16-17/h9-10H,3-8H2,1-2H3,(H,13,18).
What are the key properties of N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 45494045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).