N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide

C15H28N6O — CID 155820475

IUPACN-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide
SMILESCC(C)(C)c1nnn(CC(=O)NCC2(N)CCCCCC2)n1
InChIInChI=1S/C15H28N6O/c1-14(2,3)13-18-20-21(19-13)10-12(22)17-11-15(16)8-6-4-5-7-9-15/h4-11,16H2,1-3H3,(H,17,22)
InChIKeyGUENRTHPWCFKBC-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.14
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide

N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide (PubChem CID 155820475) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide
PubChem CID155820475
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC NameN-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide
SMILESCC(C)(C)c1nnn(CC(=O)NCC2(N)CCCCCC2)n1
InChIInChI=1S/C15H28N6O/c1-14(2,3)13-18-20-21(19-13)10-12(22)17-11-15(16)8-6-4-5-7-9-15/h4-11,16H2,1-3H3,(H,17,22)
InChIKeyGUENRTHPWCFKBC-UHFFFAOYSA-N
XLogP1.14
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-Azaspiro[5.6]dodecan-1-yl-(2-methyltetrazol-5-yl)methanone
CID 138009047
N-(2-methylcycloheptyl)-2H-tetrazole-5-carboxamide
CID 80371671
N-(4-methylcycloheptyl)-2H-tetrazole-5-carboxamide
CID 105706371
2-tert-butyl-N-[(1-methylcyclopentyl)methyl]tetrazole-5-carboxamide
CID 126838567
N-[(1-Aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride
CID 154578151
N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyl-2H-1,2,3,4-tetrazol-5-yl)acetamide
CID 154578152
2-(5-tert-butyltetrazol-2-yl)-N-[[1-[(2-chloroacetyl)amino]cycloheptyl]methyl]acetamide
CID 154874884
N-[1-[[[2-(5-tert-butyltetrazol-2-yl)acetyl]amino]methyl]cycloheptyl]prop-2-enamide
CID 154875325
N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyl-2H-1,2,3,4-tetrazol-2-yl)acetamidehydrochloride
CID 155820474
N-(2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-3a-yl)-2-tert-butyltetrazole-5-carboxamide
CID 166263847

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide (CID 155820475) is N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide is CC(C)(C)c1nnn(CC(=O)NCC2(N)CCCCCC2)n1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide?
The InChIKey is GUENRTHPWCFKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-14(2,3)13-18-20-21(19-13)10-12(22)17-11-15(16)8-6-4-5-7-9-15/h4-11,16H2,1-3H3,(H,17,22).
What are the key properties of N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide?
N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-2-(5-tert-butyltetrazol-2-yl)acetamide is sourced from PubChem (CID 155820475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).