cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide

C12H24N2O — CID 99849762

IUPACcis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)[C@H](N)CCN(C)C(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C12H24N2O/c1-8(2)11(13)5-6-14(4)12(15)10-7-9(10)3/h8-11H,5-7,13H2,1-4H3/t9-,10+,11+/m0/s1
InChIKeyVIYLABHZSHGBOL-HBNTYKKESA-N
MW212.34 g/mol
LogP1.47
Rot. Bonds5

About cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 99849762) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID99849762
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Namecis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)[C@H](N)CCN(C)C(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C12H24N2O/c1-8(2)11(13)5-6-14(4)12(15)10-7-9(10)3/h8-11H,5-7,13H2,1-4H3/t9-,10+,11+/m0/s1
InChIKeyVIYLABHZSHGBOL-HBNTYKKESA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119658274
5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706923
N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119661456
N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119658836
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride
CID 119659923
N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119661116
N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119659726
(2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride
CID 119659230
trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99785803
cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99785804
N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
CID 81483985

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide (CID 99849762) is cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide is CC(C)[C@H](N)CCN(C)C(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is VIYLABHZSHGBOL-HBNTYKKESA-N. The full InChI is InChI=1S/C12H24N2O/c1-8(2)11(13)5-6-14(4)12(15)10-7-9(10)3/h8-11H,5-7,13H2,1-4H3/t9-,10+,11+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 99849762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).