(1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine

C9H17Cl2N — CID 125477604

IUPAC(1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine
SMILESCCN(CC)[C@H](C)[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C9H17Cl2N/c1-4-12(5-2)7(3)8-6-9(8,10)11/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyGMZVPVOJGBHXDP-SFYZADRCSA-N
MW210.15 g/mol
LogP2.91
Rot. Bonds4

About (1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine

(1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine (PubChem CID 125477604) has the molecular formula C9H17Cl2N and a molecular weight of 210.15 g/mol. Its IUPAC name is (1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine.

Molecular Properties

Compound Name(1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine
PubChem CID125477604
Molecular FormulaC9H17Cl2N
Molecular Weight210.15 g/mol
Exact Mass209.07
IUPAC Name(1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine
SMILESCCN(CC)[C@H](C)[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C9H17Cl2N/c1-4-12(5-2)7(3)8-6-9(8,10)11/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyGMZVPVOJGBHXDP-SFYZADRCSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[(1R)-2,2-dichlorocyclopropyl]ethanamine
CID 90020083
(2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane
CID 146435893
(1S)-1-[(1S)-2,2-dichlorocyclopropyl]ethanamine;hydrochloride
CID 118207124
1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine
CID 131212065
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
N-ethyl-N-[(2-ethyl-1-methyl-2-bicyclo[2.1.0]pentanyl)methyl]butan-2-amine
CID 123140484
2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 78838416
1,1-dichloro-2-(chloromethyl)cyclopropane
CID 10953803
(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine
CID 104867595
N-(2-chloroethyl)-N-ethylpropan-2-amine
CID 13327740
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 76915046
5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867013

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine?
The IUPAC name of (1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine (CID 125477604) is (1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine.
What is the SMILES notation for (1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine?
The canonical SMILES for (1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine is CCN(CC)[C@H](C)[C@@H]1CC1(Cl)Cl.
What is the InChIKey of (1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine?
The InChIKey is GMZVPVOJGBHXDP-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17Cl2N/c1-4-12(5-2)7(3)8-6-9(8,10)11/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine?
(1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine has a molecular weight of 210.15 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S)-2,2-dichlorocyclopropyl]-N,N-diethylethanamine is sourced from PubChem (CID 125477604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).