N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide

C14H26N2O — CID 20624795

IUPACN,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide
SMILESCN(C)C(=O)C1CC2CCCCCC2CN1C
InChIInChI=1S/C14H26N2O/c1-15(2)14(17)13-9-11-7-5-4-6-8-12(11)10-16(13)3/h11-13H,4-10H2,1-3H3
InChIKeyQUMUBAFZWUYLJD-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.98
Rot. Bonds1

About N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide

N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide (PubChem CID 20624795) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide
PubChem CID20624795
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide
SMILESCN(C)C(=O)C1CC2CCCCCC2CN1C
InChIInChI=1S/C14H26N2O/c1-15(2)14(17)13-9-11-7-5-4-6-8-12(11)10-16(13)3/h11-13H,4-10H2,1-3H3
InChIKeyQUMUBAFZWUYLJD-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide?
The IUPAC name of N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide (CID 20624795) is N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide?
The canonical SMILES for N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide is CN(C)C(=O)C1CC2CCCCCC2CN1C.
What is the InChIKey of N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide?
The InChIKey is QUMUBAFZWUYLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15(2)14(17)13-9-11-7-5-4-6-8-12(11)10-16(13)3/h11-13H,4-10H2,1-3H3.
What are the key properties of N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide?
N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide is sourced from PubChem (CID 20624795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).