N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide

C13H26N2O — CID 64551753

IUPACN-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
SMILESCCC(C)(CN)NC(=O)C1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-3-13(2,10-14)15-12(16)11-8-6-4-5-7-9-11/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyPOTRHFQTJMHRIY-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds4

About N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide

N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide (PubChem CID 64551753) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
PubChem CID64551753
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
SMILESCCC(C)(CN)NC(=O)C1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-3-13(2,10-14)15-12(16)11-8-6-4-5-7-9-11/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyPOTRHFQTJMHRIY-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
CID 119599741
N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide
CID 106168508
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 114303630
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea
CID 116658153
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide (CID 64551753) is N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide is CCC(C)(CN)NC(=O)C1CCCCCC1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide?
The InChIKey is POTRHFQTJMHRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-13(2,10-14)15-12(16)11-8-6-4-5-7-9-11/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide?
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide is sourced from PubChem (CID 64551753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).