1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine

C13H25NO — CID 103169054

IUPAC1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)CC1CC(OCC)C1
InChIInChI=1S/C13H25NO/c1-4-10(3)6-12(14)7-11-8-13(9-11)15-5-2/h11-13H,3-9,14H2,1-2H3
InChIKeyMRLHTFWLPCSIPZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.88
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine

1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine (PubChem CID 103169054) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine
PubChem CID103169054
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)CC1CC(OCC)C1
InChIInChI=1S/C13H25NO/c1-4-10(3)6-12(14)7-11-8-13(9-11)15-5-2/h11-13H,3-9,14H2,1-2H3
InChIKeyMRLHTFWLPCSIPZ-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-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

3-Methylidene-1-(oxan-4-yl)pentan-1-amine
CID 66038049
3-Methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038289
3-Methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184856
3-Methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80174294
1-(Cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163055
1-(Cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163063
1-(3-Ethoxycyclobutyl)-3-methylbutan-2-amine
CID 103168201
1-(3-Ethoxycyclobutyl)pentan-2-amine
CID 103168212
1-(3-Ethoxycyclobutyl)-4-methylpentan-2-amine
CID 103168223
1-(3-ethoxycyclobutyl)-N-propylpent-4-en-2-amine
CID 103168310
1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine
CID 103168311
1-(3-Ethoxycyclobutyl)pent-4-en-2-amine
CID 103168312

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine (CID 103169054) is 1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine is C=C(CC)CC(N)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine?
The InChIKey is MRLHTFWLPCSIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-10(3)6-12(14)7-11-8-13(9-11)15-5-2/h11-13H,3-9,14H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine?
1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-4-methylidenehexan-2-amine is sourced from PubChem (CID 103169054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).