1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine

C16H29NO — CID 103163059

IUPAC1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)C1=CCCCC1
InChIInChI=1S/C16H29NO/c1-3-17-16(14-8-6-5-7-9-14)12-13-10-15(11-13)18-4-2/h8,13,15-17H,3-7,9-12H2,1-2H3
InChIKeyNULHGCFCOWKNKM-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds7

About 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine

1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (PubChem CID 103163059) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
PubChem CID103163059
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)C1=CCCCC1
InChIInChI=1S/C16H29NO/c1-3-17-16(14-8-6-5-7-9-14)12-13-10-15(11-13)18-4-2/h8,13,15-17H,3-7,9-12H2,1-2H3
InChIKeyNULHGCFCOWKNKM-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-1-methyl-1,2,3,4,4a,5,6,7-octahydroisoquinoline
CID 54060540
N-(8-cyclobutylideneoctyl)-8-heptadecan-9-yloxyoctan-1-amine;1-methoxy-2-methylheptane
CID 168924603
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
N-[cyclopenten-1-yl(oxan-4-yl)methyl]ethanamine
CID 62904966
N-[cyclopenten-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 62904967
N-[cyclohexen-1-yl(oxan-4-yl)methyl]ethanamine
CID 62907585
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63014165
N-[cyclohexen-1-yl(oxan-3-yl)methyl]ethanamine
CID 63014167
1-(cyclopenten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63014703
N-[cyclopenten-1-yl(oxan-3-yl)methyl]ethanamine
CID 63014704
N-[cyclopenten-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 63014878

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (CID 103163059) is 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is CCNC(CC1CC(OCC)C1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The InChIKey is NULHGCFCOWKNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-17-16(14-8-6-5-7-9-14)12-13-10-15(11-13)18-4-2/h8,13,15-17H,3-7,9-12H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is sourced from PubChem (CID 103163059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).