2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine

C20H35N — CID 67555722

IUPAC2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine
SMILESC=CC(C)C1(C2CCC2NC)CC(CC)C1C(C)C1CC1
InChIInChI=1S/C20H35N/c1-6-13(3)20(17-10-11-18(17)21-5)12-15(7-2)19(20)14(4)16-8-9-16/h6,13-19,21H,1,7-12H2,2-5H3
InChIKeyMUGFJHHVRQZPER-UHFFFAOYSA-N
MW289.51 g/mol
LogP4.89
Rot. Bonds7

About 2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine

2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine (PubChem CID 67555722) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine
PubChem CID67555722
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine
SMILESC=CC(C)C1(C2CCC2NC)CC(CC)C1C(C)C1CC1
InChIInChI=1S/C20H35N/c1-6-13(3)20(17-10-11-18(17)21-5)12-15(7-2)19(20)14(4)16-8-9-16/h6,13-19,21H,1,7-12H2,2-5H3
InChIKeyMUGFJHHVRQZPER-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine?
The IUPAC name of 2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine (CID 67555722) is 2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine.
What is the SMILES notation for 2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine?
The canonical SMILES for 2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine is C=CC(C)C1(C2CCC2NC)CC(CC)C1C(C)C1CC1.
What is the InChIKey of 2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine?
The InChIKey is MUGFJHHVRQZPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-6-13(3)20(17-10-11-18(17)21-5)12-15(7-2)19(20)14(4)16-8-9-16/h6,13-19,21H,1,7-12H2,2-5H3.
What are the key properties of 2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine?
2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-but-3-en-2-yl-2-(1-cyclopropylethyl)-3-ethylcyclobutyl]-N-methylcyclobutan-1-amine is sourced from PubChem (CID 67555722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).