N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine

C11H21NO — CID 106401449

IUPACN-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
SMILESC=CCCOCCNCCC1CC1
InChIInChI=1S/C11H21NO/c1-2-3-9-13-10-8-12-7-6-11-4-5-11/h2,11-12H,1,3-10H2
InChIKeyUJKHGJBHKJKCTR-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine

N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine (PubChem CID 106401449) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
PubChem CID106401449
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
SMILESC=CCCOCCNCCC1CC1
InChIInChI=1S/C11H21NO/c1-2-3-9-13-10-8-12-7-6-11-4-5-11/h2,11-12H,1,3-10H2
InChIKeyUJKHGJBHKJKCTR-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
N-(2-but-3-enoxyethyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 106401471
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
N-(2-but-3-enoxyethyl)-4-ethylcyclohexan-1-amine
CID 103854437
1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane
CID 57103728
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
N-(2-but-3-enoxyethyl)cyclododecanamine
CID 106397131
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
CID 106401641
3,3-dimethyl-N-(2-pent-4-enoxyethyl)butan-1-amine
CID 79113987
5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one
CID 106401472
2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 106401954

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine (CID 106401449) is N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine is C=CCCOCCNCCC1CC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine?
The InChIKey is UJKHGJBHKJKCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-9-13-10-8-12-7-6-11-4-5-11/h2,11-12H,1,3-10H2.
What are the key properties of N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine?
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine is sourced from PubChem (CID 106401449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).