N,1-diethyl-2-methylcycloheptane-1-carboxamide

C13H25NO — CID 20549202

IUPACN,1-diethyl-2-methylcycloheptane-1-carboxamide
SMILESCCNC(=O)C1(CC)CCCCCC1C
InChIInChI=1S/C13H25NO/c1-4-13(12(15)14-5-2)10-8-6-7-9-11(13)3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyLLMQFJHTRJWXJJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.12
Rot. Bonds3

About N,1-diethyl-2-methylcycloheptane-1-carboxamide

N,1-diethyl-2-methylcycloheptane-1-carboxamide (PubChem CID 20549202) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,1-diethyl-2-methylcycloheptane-1-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-2-methylcycloheptane-1-carboxamide
PubChem CID20549202
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,1-diethyl-2-methylcycloheptane-1-carboxamide
SMILESCCNC(=O)C1(CC)CCCCCC1C
InChIInChI=1S/C13H25NO/c1-4-13(12(15)14-5-2)10-8-6-7-9-11(13)3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyLLMQFJHTRJWXJJ-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-methyl-1-propan-2-ylcyclohexane-1-carboxamide
CID 3016620
(1-ethyl-2-methylcycloheptyl)-morpholin-4-ylmethanone
CID 20549212
N-ethyl-1-hydroxycyclopentane-1-carboxamide
CID 131085818
1-(1-ethyl-2-methylcyclobutyl)ethanone
CID 59190029
N-ethyl-1-propan-2-ylcyclohexane-1-carboxamide
CID 3016622
1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid
CID 130935055
2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 131021386
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide
CID 57084439
N-ethyl-1-methylcyclobutane-1-carboxamide
CID 131131875
2-methylcyclohexane-1,1-dicarbonyl chloride
CID 87557674
1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-2-methylcycloheptane-1-carboxamide?
The IUPAC name of N,1-diethyl-2-methylcycloheptane-1-carboxamide (CID 20549202) is N,1-diethyl-2-methylcycloheptane-1-carboxamide.
What is the SMILES notation for N,1-diethyl-2-methylcycloheptane-1-carboxamide?
The canonical SMILES for N,1-diethyl-2-methylcycloheptane-1-carboxamide is CCNC(=O)C1(CC)CCCCCC1C.
What is the InChIKey of N,1-diethyl-2-methylcycloheptane-1-carboxamide?
The InChIKey is LLMQFJHTRJWXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-13(12(15)14-5-2)10-8-6-7-9-11(13)3/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N,1-diethyl-2-methylcycloheptane-1-carboxamide?
N,1-diethyl-2-methylcycloheptane-1-carboxamide has a molecular weight of 211.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-2-methylcycloheptane-1-carboxamide is sourced from PubChem (CID 20549202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).