N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide

C12H22N2O — CID 103805761

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)N[C@@H]1CCCC[C@H]1N)C1CC1
InChIInChI=1S/C12H22N2O/c1-8(9-6-7-9)12(15)14-11-5-3-2-4-10(11)13/h8-11H,2-7,13H2,1H3,(H,14,15)/t8?,10-,11-/m1/s1
InChIKeySVMCXMROPXHBBV-GUJYYOPSSA-N
MW210.32 g/mol
LogP1.42
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide

N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide (PubChem CID 103805761) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide
PubChem CID103805761
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)N[C@@H]1CCCC[C@H]1N)C1CC1
InChIInChI=1S/C12H22N2O/c1-8(9-6-7-9)12(15)14-11-5-3-2-4-10(11)13/h8-11H,2-7,13H2,1H3,(H,14,15)/t8?,10-,11-/m1/s1
InChIKeySVMCXMROPXHBBV-GUJYYOPSSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide (CID 103805761) is N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide is CC(C(=O)N[C@@H]1CCCC[C@H]1N)C1CC1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide?
The InChIKey is SVMCXMROPXHBBV-GUJYYOPSSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(9-6-7-9)12(15)14-11-5-3-2-4-10(11)13/h8-11H,2-7,13H2,1H3,(H,14,15)/t8?,10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide has a molecular weight of 210.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide is sourced from PubChem (CID 103805761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).