cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide

C12H22N2O — CID 99785804

IUPACcis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)N(C)CCN(C)C1CC1
InChIInChI=1S/C12H22N2O/c1-9-8-11(9)12(15)14(3)7-6-13(2)10-4-5-10/h9-11H,4-8H2,1-3H3/t9-,11+/m0/s1
InChIKeyGWRPHVZPFJVKQR-GXSJLCMTSA-N
MW210.32 g/mol
LogP1.20
Rot. Bonds5

About cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 99785804) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID99785804
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Namecis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)N(C)CCN(C)C1CC1
InChIInChI=1S/C12H22N2O/c1-9-8-11(9)12(15)14(3)7-6-13(2)10-4-5-10/h9-11H,4-8H2,1-3H3/t9-,11+/m0/s1
InChIKeyGWRPHVZPFJVKQR-GXSJLCMTSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99785803
cis-(1S,3R)-3-[2-[cyclopropyl(methyl)amino]ethyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066515
4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 63727080
N-(2-aminoethyl)-N-cyclopropyl-2-methylcyclopropane-1-carboxamide
CID 61350134
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107174467
3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175271
cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99849762
4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
2-[cyclopropyl-(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 60825503
4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
CID 62781325
5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
CID 102706518
N-(4-aminocyclohexyl)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 79112448

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide (CID 99785804) is cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)N(C)CCN(C)C1CC1.
What is the InChIKey of cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is GWRPHVZPFJVKQR-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-8-11(9)12(15)14(3)7-6-13(2)10-4-5-10/h9-11H,4-8H2,1-3H3/t9-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 99785804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).