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

C15H28N6O — CID 154578152

IUPACN-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide
SMILESCC(C)(C)n1nnc(CC(=O)NCC2(N)CCCCCC2)n1
InChIInChI=1S/C15H28N6O/c1-14(2,3)21-19-12(18-20-21)10-13(22)17-11-15(16)8-6-4-5-7-9-15/h4-11,16H2,1-3H3,(H,17,22)
InChIKeyRPQPFCMNOWLNPS-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.14
Rot. Bonds4

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

N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide (PubChem CID 154578152) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide
PubChem CID154578152
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC NameN-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide
SMILESCC(C)(C)n1nnc(CC(=O)NCC2(N)CCCCCC2)n1
InChIInChI=1S/C15H28N6O/c1-14(2,3)21-19-12(18-20-21)10-13(22)17-11-15(16)8-6-4-5-7-9-15/h4-11,16H2,1-3H3,(H,17,22)
InChIKeyRPQPFCMNOWLNPS-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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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide (CID 154578152) is N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide is CC(C)(C)n1nnc(CC(=O)NCC2(N)CCCCCC2)n1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide?
The InChIKey is RPQPFCMNOWLNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-14(2,3)21-19-12(18-20-21)10-13(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-(2-tert-butyltetrazol-5-yl)acetamide?
N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-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-(2-tert-butyltetrazol-5-yl)acetamide is sourced from PubChem (CID 154578152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).