N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

C13H24N2O — CID 65191228

IUPACN-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)C(CN)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-8(2)12(7-14)15-13(16)11-6-9-3-4-10(11)5-9/h8-12H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyHKWPKLJHQUWISB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.52
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 65191228) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID65191228
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)C(CN)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-8(2)12(7-14)15-13(16)11-6-9-3-4-10(11)5-9/h8-12H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyHKWPKLJHQUWISB-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365135
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-hydroxybutanoic acid
CID 43209742
N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103940908
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-methylpentanoic acid
CID 43209835
N-(1-chlorobutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114294540
N-(1-bromo-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114177972
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
2-(bicyclo[2.2.1]heptane-2-carbonylamino)pentanoic acid
CID 43631080
N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103512804
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
(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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 65191228) is N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)C(CN)NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HKWPKLJHQUWISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-8(2)12(7-14)15-13(16)11-6-9-3-4-10(11)5-9/h8-12H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 65191228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).