4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide

C12H22N6O — CID 102629106

IUPAC4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)Nc2nnn(C)n2)C1(C)C
InChIInChI=1S/C12H22N6O/c1-7-9(13)6-5-8(12(7,2)3)10(19)14-11-15-17-18(4)16-11/h7-9H,5-6,13H2,1-4H3,(H,14,16,19)
InChIKeyPMABOQVCSGFYRK-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.55
Rot. Bonds2

About 4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 102629106) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide
PubChem CID102629106
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)Nc2nnn(C)n2)C1(C)C
InChIInChI=1S/C12H22N6O/c1-7-9(13)6-5-8(12(7,2)3)10(19)14-11-15-17-18(4)16-11/h7-9H,5-6,13H2,1-4H3,(H,14,16,19)
InChIKeyPMABOQVCSGFYRK-UHFFFAOYSA-N
XLogP0.55
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide (CID 102629106) is 4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)Nc2nnn(C)n2)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is PMABOQVCSGFYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-7-9(13)6-5-8(12(7,2)3)10(19)14-11-15-17-18(4)16-11/h7-9H,5-6,13H2,1-4H3,(H,14,16,19).
What are the key properties of 4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102629106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).