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

C15H29ClN6O — CID 154578151

IUPACN-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride
SMILESCC(C)(C)n1nnc(CC(=O)NCC2(N)CCCCCC2)n1.Cl
InChIInChI=1S/C15H28N6O.ClH/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);1H
InChIKeyFQOPXIQWSWDBLO-UHFFFAOYSA-N
MW344.89 g/mol
LogP1.56
Rot. Bonds4

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

N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride (PubChem CID 154578151) has the molecular formula C15H29ClN6O and a molecular weight of 344.89 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride
PubChem CID154578151
Molecular FormulaC15H29ClN6O
Molecular Weight344.89 g/mol
Exact Mass344.21
IUPAC NameN-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride
SMILESCC(C)(C)n1nnc(CC(=O)NCC2(N)CCCCCC2)n1.Cl
InChIInChI=1S/C15H28N6O.ClH/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);1H
InChIKeyFQOPXIQWSWDBLO-UHFFFAOYSA-N
XLogP1.56
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 51.56
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;hydrochloride?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride (CID 154578151) is N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride is CC(C)(C)n1nnc(CC(=O)NCC2(N)CCCCCC2)n1.Cl.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride?
The InChIKey is FQOPXIQWSWDBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O.ClH/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);1H.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride?
N-[(1-aminocycloheptyl)methyl]-2-(2-tert-butyltetrazol-5-yl)acetamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 1.56, 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;hydrochloride is sourced from PubChem (CID 154578151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).