N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine

C13H27N — CID 155794334

IUPACN-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1(CC(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-6-14(7-2)11-13(8-9-13)10-12(3,4)5/h6-11H2,1-5H3
InChIKeyBQSKBIVKHOXJIM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds5

About N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine

N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine (PubChem CID 155794334) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine
PubChem CID155794334
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1(CC(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-6-14(7-2)11-13(8-9-13)10-12(3,4)5/h6-11H2,1-5H3
InChIKeyBQSKBIVKHOXJIM-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine (CID 155794334) is N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine is CCN(CC)CC1(CC(C)(C)C)CC1.
What is the InChIKey of N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine?
The InChIKey is BQSKBIVKHOXJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-14(7-2)11-13(8-9-13)10-12(3,4)5/h6-11H2,1-5H3.
What are the key properties of N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine?
N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-dimethylpropyl)cyclopropyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 155794334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).