N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine

C12H23NO — CID 116714654

IUPACN-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine
SMILESC=CCCC(NCC)C1(OC)CCC1
InChIInChI=1S/C12H23NO/c1-4-6-8-11(13-5-2)12(14-3)9-7-10-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyPMIMXJJVZJSHGK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds7

About N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine

N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine (PubChem CID 116714654) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine
PubChem CID116714654
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine
SMILESC=CCCC(NCC)C1(OC)CCC1
InChIInChI=1S/C12H23NO/c1-4-6-8-11(13-5-2)12(14-3)9-7-10-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyPMIMXJJVZJSHGK-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-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

1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
CID 116771028
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
CID 116766659
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine
CID 107009746
N-ethyl-1-(1-methoxycyclobutyl)prop-2-en-1-amine
CID 116714475
1-(1-methoxycyclobutyl)-N-methyloct-7-en-1-amine
CID 107009678
N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine
CID 116714567
N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine
CID 116763096
1-(1-methoxycyclobutyl)hex-5-en-1-ol
CID 116710636
N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine
CID 116770293
1-(1-methoxycyclopentyl)oct-7-enylhydrazine
CID 107012644
1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine
CID 105277517
N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine
CID 116770390

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine (CID 116714654) is N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine is C=CCCC(NCC)C1(OC)CCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine?
The InChIKey is PMIMXJJVZJSHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-8-11(13-5-2)12(14-3)9-7-10-12/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine?
N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine is sourced from PubChem (CID 116714654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).