N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide

C12H22N2O — CID 103512804

IUPACN-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC(C)CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C12H22N2O/c1-8(13-2)7-14-12(15)11-6-9-3-4-10(11)5-9/h8-11,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyQJMULVBHBWSCHS-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.15
Rot. Bonds4

About N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103512804) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103512804
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC(C)CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C12H22N2O/c1-8(13-2)7-14-12(15)11-6-9-3-4-10(11)5-9/h8-11,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyQJMULVBHBWSCHS-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103771225
N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 66176464
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
N-(3-chlorobutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114301869
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
N-[2-hydroxy-2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 111119691
(1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98365932
5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113440573
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 120831827

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 103512804) is N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide is CNC(C)CNC(=O)C1CC2CCC1C2.
What is the InChIKey of N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QJMULVBHBWSCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(13-2)7-14-12(15)11-6-9-3-4-10(11)5-9/h8-11,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103512804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).