N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C13H22N2O — CID 103812773

IUPACN-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCC1CC1NC(=O)C1CC2CCC1N2
InChIInChI=1S/C13H22N2O/c1-2-3-8-6-12(8)15-13(16)10-7-9-4-5-11(10)14-9/h8-12,14H,2-7H2,1H3,(H,15,16)
InChIKeyWQTUHRAKUYYEPB-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.43
Rot. Bonds4

About N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103812773) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103812773
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCC1CC1NC(=O)C1CC2CCC1N2
InChIInChI=1S/C13H22N2O/c1-2-3-8-6-12(8)15-13(16)10-7-9-4-5-11(10)14-9/h8-12,14H,2-7H2,1H3,(H,15,16)
InChIKeyWQTUHRAKUYYEPB-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-propylcyclopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106704168
2-[(2-propylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114110539
3-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031370
2-amino-N-(2-propylcyclopropyl)cycloheptane-1-carboxamide
CID 113267243
N-(3-hydroxy-2,2-dimethylcyclobutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114629668
N-(4-methylsulfanylcyclohexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114123022
N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 115739349
N-[2-(2-hydroxyethyl)pentyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114145522
methyl (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 12068849
1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea
CID 130628740
methyl (1R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131071322
N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113266766

Frequently Asked Questions

What is the IUPAC name of N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 103812773) is N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CCCC1CC1NC(=O)C1CC2CCC1N2.
What is the InChIKey of N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WQTUHRAKUYYEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-8-6-12(8)15-13(16)10-7-9-4-5-11(10)14-9/h8-12,14H,2-7H2,1H3,(H,15,16).
What are the key properties of N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylcyclopropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103812773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).