1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine

C14H27NO — CID 103168774

IUPAC1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine
SMILESC=CCCCC(CC1CC(OCC)C1)NC
InChIInChI=1S/C14H27NO/c1-4-6-7-8-13(15-3)9-12-10-14(11-12)16-5-2/h4,12-15H,1,5-11H2,2-3H3
InChIKeyVJYBSJKIJMCEJW-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds9

About 1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine

1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine (PubChem CID 103168774) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine
PubChem CID103168774
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine
SMILESC=CCCCC(CC1CC(OCC)C1)NC
InChIInChI=1S/C14H27NO/c1-4-6-7-8-13(15-3)9-12-10-14(11-12)16-5-2/h4,12-15H,1,5-11H2,2-3H3
InChIKeyVJYBSJKIJMCEJW-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
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'}

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Related Compounds

2-(4-Dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine
CID 155301829
N-ethyl-1-(oxan-3-yl)hex-5-en-1-amine
CID 65331821
N-methyl-1-(oxan-3-yl)hex-5-en-1-amine
CID 65331918
N-ethyl-1-(oxan-3-yl)but-3-en-1-amine
CID 65332035
N-ethyl-1-(oxan-3-yl)pent-4-en-1-amine
CID 65332093
N-methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 65332193
N-methyl-1-(oxan-3-yl)pent-4-en-1-amine
CID 65332195
1-(oxan-3-yl)-N-propylhex-5-en-1-amine
CID 65333411
1-(oxan-3-yl)-N-propylbut-3-en-1-amine
CID 65333612
1-(oxan-3-yl)-N-propylpent-4-en-1-amine
CID 65333668
N-methyl-1-(oxan-4-yl)hex-5-en-1-amine
CID 65334915
N-methyl-3-methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038290

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine (CID 103168774) is 1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine is C=CCCCC(CC1CC(OCC)C1)NC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine?
The InChIKey is VJYBSJKIJMCEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-6-7-8-13(15-3)9-12-10-14(11-12)16-5-2/h4,12-15H,1,5-11H2,2-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine?
1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-methylhept-6-en-2-amine is sourced from PubChem (CID 103168774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).