N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide

C14H28N2O — CID 81484905

IUPACN-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-3-14(15,4-2)11-16-13(17)12-9-7-5-6-8-10-12/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyYCQPJMSXTHOPBW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.59
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide

N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide (PubChem CID 81484905) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
PubChem CID81484905
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-3-14(15,4-2)11-16-13(17)12-9-7-5-6-8-10-12/h12H,3-11,15H2,1-2H3,(H,16,17)
InChIKeyYCQPJMSXTHOPBW-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
CID 119643055
N-(2-amino-2-ethylbutyl)thiane-4-carboxamide
CID 119643378
N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119643117
N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
CID 115305764
N-[2-(bromomethyl)-2-ethylbutyl]cycloheptanecarboxamide
CID 106255395
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119640656
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-(2-amino-2-ethylbutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 81484556
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119641529
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide (CID 81484905) is N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide is CCC(N)(CC)CNC(=O)C1CCCCCC1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide?
The InChIKey is YCQPJMSXTHOPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-14(15,4-2)11-16-13(17)12-9-7-5-6-8-10-12/h12H,3-11,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide?
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide is sourced from PubChem (CID 81484905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).