2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine

C14H27N — CID 123913625

IUPAC2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine
SMILESCC=C(C)C1(CC)C(C)C1(CC)N(C)C
InChIInChI=1S/C14H27N/c1-8-11(4)13(9-2)12(5)14(13,10-3)15(6)7/h8,12H,9-10H2,1-7H3
InChIKeySYCMCCDNAFTVBE-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.71
Rot. Bonds4

About 2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine

2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine (PubChem CID 123913625) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine.

Molecular Properties

Compound Name2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine
PubChem CID123913625
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine
SMILESCC=C(C)C1(CC)C(C)C1(CC)N(C)C
InChIInChI=1S/C14H27N/c1-8-11(4)13(9-2)12(5)14(13,10-3)15(6)7/h8,12H,9-10H2,1-7H3
InChIKeySYCMCCDNAFTVBE-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]pent-1-en-2-amine
CID 68302097
N,2-dimethyl-N-[[2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropyl]methyl]propan-2-amine
CID 68302161
3-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpent-1-en-2-amine
CID 68302217
2-cyclopropyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine
CID 68302323
N,3,3-trimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]but-1-en-2-amine
CID 68302368
N-tert-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]pent-1-en-2-amine
CID 68302393
4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpent-1-en-2-amine
CID 68302413
N,2,4-trimethyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]pent-2-en-3-amine
CID 68302427
1-cyclopropyl-2-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propan-2-ylpropan-1-amine
CID 68302428
3-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylbut-1-en-2-amine
CID 68302556
Trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
CID 68771460
Trimethyl-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium
CID 68771461

Frequently Asked Questions

What is the IUPAC name of 2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine?
The IUPAC name of 2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine (CID 123913625) is 2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine.
What is the SMILES notation for 2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine?
The canonical SMILES for 2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine is CC=C(C)C1(CC)C(C)C1(CC)N(C)C.
What is the InChIKey of 2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine?
The InChIKey is SYCMCCDNAFTVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-8-11(4)13(9-2)12(5)14(13,10-3)15(6)7/h8,12H,9-10H2,1-7H3.
What are the key properties of 2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine?
2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine is sourced from PubChem (CID 123913625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).