1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine

C15H30N2 — CID 79081392

IUPAC1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine
SMILESC=CCC(NCC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H30N2/c1-5-11-14(16-6-2)15(17(3)4)12-9-7-8-10-13-15/h5,14,16H,1,6-13H2,2-4H3
InChIKeyYMYSELLMVIXDSR-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds6

About 1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine

1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79081392) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79081392
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine
SMILESC=CCC(NCC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H30N2/c1-5-11-14(16-6-2)15(17(3)4)12-9-7-8-10-13-15/h5,14,16H,1,6-13H2,2-4H3
InChIKeyYMYSELLMVIXDSR-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine 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,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine
CID 79070855
1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine
CID 79184871
1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
CID 79081785
1-[1-(ethylamino)-2-methoxyethyl]-N,N-dimethylcyclopentan-1-amine
CID 79568577
1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063752
N-ethyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-amine
CID 79066104
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine
CID 115517235
N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine
CID 63078290
1-[2-(5-chlorothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070614
1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 79066074
N,N-dimethyl-1-[1-(methylamino)hex-5-enyl]cyclopentan-1-amine
CID 79069765

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine (CID 79081392) is 1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine is C=CCC(NCC)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is YMYSELLMVIXDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-11-14(16-6-2)15(17(3)4)12-9-7-8-10-13-15/h5,14,16H,1,6-13H2,2-4H3.
What are the key properties of 1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine?
1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79081392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).