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

C14H29ClN2O — CID 119643055

IUPACN-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CCCCCC1.Cl
InChIInChI=1S/C14H28N2O.ClH/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);1H
InChIKeyDDTDKUXOPDLUPA-UHFFFAOYSA-N
MW276.85 g/mol
LogP3.01
Rot. Bonds5

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

N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride (PubChem CID 119643055) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
PubChem CID119643055
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC NameN-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CCCCCC1.Cl
InChIInChI=1S/C14H28N2O.ClH/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);1H
InChIKeyDDTDKUXOPDLUPA-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
CID 81484905
N-(2-amino-2-ethylbutyl)thiane-4-carboxamide
CID 119643378
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002
N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119643117
N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119640656
N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
CID 115305764
N-[2-(bromomethyl)-2-ethylbutyl]cycloheptanecarboxamide
CID 106255395
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-(2-amino-2-ethylbutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 81484556
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119641529

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride (CID 119643055) is N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1CCCCCC1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride?
The InChIKey is DDTDKUXOPDLUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/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);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 3.01, 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;hydrochloride is sourced from PubChem (CID 119643055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).