3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H26N2O — CID 113267120

IUPAC3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)C1(CNC(=O)C2C3CCC(C3)C2N)CC1
InChIInChI=1S/C15H26N2O/c1-9(2)15(5-6-15)8-17-14(18)12-10-3-4-11(7-10)13(12)16/h9-13H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyWYPGLLQDEYWULB-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.91
Rot. Bonds4

About 3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 113267120) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID113267120
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)C1(CNC(=O)C2C3CCC(C3)C2N)CC1
InChIInChI=1S/C15H26N2O/c1-9(2)15(5-6-15)8-17-14(18)12-10-3-4-11(7-10)13(12)16/h9-13H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyWYPGLLQDEYWULB-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 6933183
N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 2817639
N-butyl-3-nitrobicyclo[2.2.1]heptane-2-carboxamide
CID 13801584
2,2-dimethyl-N-(6-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 16468903
3-[2-[(2-Cyclohexylacetyl)amino]propanoylamino]bicyclo[2.2.1]heptane-2-carboxamide
CID 72128880
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 163395342
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163395343
(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 163396185
(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396186
3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 167110644
3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 167110752
3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 167110787

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 113267120) is 3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(C)C1(CNC(=O)C2C3CCC(C3)C2N)CC1.
What is the InChIKey of 3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WYPGLLQDEYWULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-9(2)15(5-6-15)8-17-14(18)12-10-3-4-11(7-10)13(12)16/h9-13H,3-8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 113267120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).