N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine

C14H29N — CID 115782782

IUPACN-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine
SMILESCCNC(CC(C)C)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H29N/c1-8-15-11(9-10(2)3)12-13(4,5)14(12,6)7/h10-12,15H,8-9H2,1-7H3
InChIKeyVEQHVWRJGFTJGS-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.69
Rot. Bonds5

About N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine

N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine (PubChem CID 115782782) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine
PubChem CID115782782
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine
SMILESCCNC(CC(C)C)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H29N/c1-8-15-11(9-10(2)3)12-13(4,5)14(12,6)7/h10-12,15H,8-9H2,1-7H3
InChIKeyVEQHVWRJGFTJGS-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine (CID 115782782) is N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine is CCNC(CC(C)C)C1C(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine?
The InChIKey is VEQHVWRJGFTJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-8-15-11(9-10(2)3)12-13(4,5)14(12,6)7/h10-12,15H,8-9H2,1-7H3.
What are the key properties of N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine?
N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)butan-1-amine is sourced from PubChem (CID 115782782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).