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

C16H31NO — CID 103168773

IUPAC1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine
SMILESC=CCCCC(CC1CC(OCC)C1)NCCC
InChIInChI=1S/C16H31NO/c1-4-7-8-9-15(17-10-5-2)11-14-12-16(13-14)18-6-3/h4,14-17H,1,5-13H2,2-3H3
InChIKeyFMNICGXBGZYCAK-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.92
Rot. Bonds11

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

1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine (PubChem CID 103168773) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine
PubChem CID103168773
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine
SMILESC=CCCCC(CC1CC(OCC)C1)NCCC
InChIInChI=1S/C16H31NO/c1-4-7-8-9-15(17-10-5-2)11-14-12-16(13-14)18-6-3/h4,14-17H,1,5-13H2,2-3H3
InChIKeyFMNICGXBGZYCAK-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.92
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)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-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine
CID 79365562
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163057
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163059

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine (CID 103168773) is 1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine is C=CCCCC(CC1CC(OCC)C1)NCCC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine?
The InChIKey is FMNICGXBGZYCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-7-8-9-15(17-10-5-2)11-14-12-16(13-14)18-6-3/h4,14-17H,1,5-13H2,2-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine?
1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-propylhept-6-en-2-amine is sourced from PubChem (CID 103168773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).