N,1,4,4-tetramethylcycloheptane-1-carboxamide

C12H23NO — CID 20549187

IUPACN,1,4,4-tetramethylcycloheptane-1-carboxamide
SMILESCNC(=O)C1(C)CCCC(C)(C)CC1
InChIInChI=1S/C12H23NO/c1-11(2)6-5-7-12(3,9-8-11)10(14)13-4/h5-9H2,1-4H3,(H,13,14)
InChIKeyNNSNGNISMNIVQQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.73
Rot. Bonds1

About N,1,4,4-tetramethylcycloheptane-1-carboxamide

N,1,4,4-tetramethylcycloheptane-1-carboxamide (PubChem CID 20549187) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,1,4,4-tetramethylcycloheptane-1-carboxamide.

Molecular Properties

Compound NameN,1,4,4-tetramethylcycloheptane-1-carboxamide
PubChem CID20549187
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,1,4,4-tetramethylcycloheptane-1-carboxamide
SMILESCNC(=O)C1(C)CCCC(C)(C)CC1
InChIInChI=1S/C12H23NO/c1-11(2)6-5-7-12(3,9-8-11)10(14)13-4/h5-9H2,1-4H3,(H,13,14)
InChIKeyNNSNGNISMNIVQQ-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,1,4,4-tetramethylcycloheptane-1-carboxamide?
The IUPAC name of N,1,4,4-tetramethylcycloheptane-1-carboxamide (CID 20549187) is N,1,4,4-tetramethylcycloheptane-1-carboxamide.
What is the SMILES notation for N,1,4,4-tetramethylcycloheptane-1-carboxamide?
The canonical SMILES for N,1,4,4-tetramethylcycloheptane-1-carboxamide is CNC(=O)C1(C)CCCC(C)(C)CC1.
What is the InChIKey of N,1,4,4-tetramethylcycloheptane-1-carboxamide?
The InChIKey is NNSNGNISMNIVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)6-5-7-12(3,9-8-11)10(14)13-4/h5-9H2,1-4H3,(H,13,14).
What are the key properties of N,1,4,4-tetramethylcycloheptane-1-carboxamide?
N,1,4,4-tetramethylcycloheptane-1-carboxamide has a molecular weight of 197.32 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,4,4-tetramethylcycloheptane-1-carboxamide is sourced from PubChem (CID 20549187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).