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

C17H31NO — CID 103163074

IUPAC1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)C1=CCCCCC1
InChIInChI=1S/C17H31NO/c1-3-18-17(15-9-7-5-6-8-10-15)13-14-11-16(12-14)19-4-2/h9,14,16-18H,3-8,10-13H2,1-2H3
InChIKeyHNKBNGFPSWIRHX-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.06
Rot. Bonds7

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

1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (PubChem CID 103163074) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
PubChem CID103163074
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)C1=CCCCCC1
InChIInChI=1S/C17H31NO/c1-3-18-17(15-9-7-5-6-8-10-15)13-14-11-16(12-14)19-4-2/h9,14,16-18H,3-8,10-13H2,1-2H3
InChIKeyHNKBNGFPSWIRHX-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.06
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

N-(8-cyclobutylideneoctyl)-8-heptadecan-9-yloxyoctan-1-amine;1-methoxy-2-methylheptane
CID 168924603
N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
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
1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63015054
N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine
CID 63015056
N-[cyclohepten-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 63015236
N-[2-(cyclohexen-1-yl)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863411
1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156299

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (CID 103163074) is 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is CCNC(CC1CC(OCC)C1)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The InChIKey is HNKBNGFPSWIRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-18-17(15-9-7-5-6-8-10-15)13-14-11-16(12-14)19-4-2/h9,14,16-18H,3-8,10-13H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine has a molecular weight of 265.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is sourced from PubChem (CID 103163074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).