1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine

C9H19N — CID 123972141

IUPAC1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine
SMILESCCC1C(CNC)C1(C)C
InChIInChI=1S/C9H19N/c1-5-7-8(6-10-4)9(7,2)3/h7-8,10H,5-6H2,1-4H3
InChIKeyXIQCPADOLZGJDG-UHFFFAOYSA-N
MW141.26 g/mol
LogP1.89
Rot. Bonds3

About 1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine

1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine (PubChem CID 123972141) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine
PubChem CID123972141
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine
SMILESCCC1C(CNC)C1(C)C
InChIInChI=1S/C9H19N/c1-5-7-8(6-10-4)9(7,2)3/h7-8,10H,5-6H2,1-4H3
InChIKeyXIQCPADOLZGJDG-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine (CID 123972141) is 1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine is CCC1C(CNC)C1(C)C.
What is the InChIKey of 1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine?
The InChIKey is XIQCPADOLZGJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-7-8(6-10-4)9(7,2)3/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine?
1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine has a molecular weight of 141.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine is sourced from PubChem (CID 123972141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).