1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane

C8H18ClN — CID 142106524

IUPAC1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane
SMILESCC.CNCC1CC1(C)Cl
InChIInChI=1S/C6H12ClN.C2H6/c1-6(7)3-5(6)4-8-2;1-2/h5,8H,3-4H2,1-2H3;1-2H3
InChIKeyCNQISDYPVIVEGY-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.25
Rot. Bonds2

About 1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane

1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane (PubChem CID 142106524) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane.

Molecular Properties

Compound Name1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane
PubChem CID142106524
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane
SMILESCC.CNCC1CC1(C)Cl
InChIInChI=1S/C6H12ClN.C2H6/c1-6(7)3-5(6)4-8-2;1-2/h5,8H,3-4H2,1-2H3;1-2H3
InChIKeyCNQISDYPVIVEGY-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane?
The IUPAC name of 1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane (CID 142106524) is 1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane.
What is the SMILES notation for 1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane?
The canonical SMILES for 1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane is CC.CNCC1CC1(C)Cl.
What is the InChIKey of 1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane?
The InChIKey is CNQISDYPVIVEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClN.C2H6/c1-6(7)3-5(6)4-8-2;1-2/h5,8H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane?
1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane has a molecular weight of 163.69 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-methylcyclopropyl)-N-methylmethanamine;ethane is sourced from PubChem (CID 142106524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).