1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride

C14H21ClN2O — CID 119399892

IUPAC1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccccc1NC(=O)C1(N)CC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-13(2,3)10-6-4-5-7-11(10)16-12(17)14(15)8-9-14;/h4-7H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyLMXARYGYFYWKLD-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.84
Rot. Bonds2

About 1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride

1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119399892) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119399892
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccccc1NC(=O)C1(N)CC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-13(2,3)10-6-4-5-7-11(10)16-12(17)14(15)8-9-14;/h4-7H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyLMXARYGYFYWKLD-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119399892) is 1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride is CC(C)(C)c1ccccc1NC(=O)C1(N)CC1.Cl.
What is the InChIKey of 1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is LMXARYGYFYWKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-13(2,3)10-6-4-5-7-11(10)16-12(17)14(15)8-9-14;/h4-7H,8-9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119399892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).