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

C16H29NO — CID 103163072

IUPAC1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)C2=CCCCCC2)C1
InChIInChI=1S/C16H29NO/c1-3-18-15-10-13(11-15)12-16(17-2)14-8-6-4-5-7-9-14/h8,13,15-17H,3-7,9-12H2,1-2H3
InChIKeyYKHNZWCQHWSPDY-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds6

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

1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (PubChem CID 103163072) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
PubChem CID103163072
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)C2=CCCCCC2)C1
InChIInChI=1S/C16H29NO/c1-3-18-15-10-13(11-15)12-16(17-2)14-8-6-4-5-7-9-14/h8,13,15-17H,3-7,9-12H2,1-2H3
InChIKeyYKHNZWCQHWSPDY-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62905142
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-methylethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (CID 103163072) is 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine is CCOC1CC(CC(NC)C2=CCCCCC2)C1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The InChIKey is YKHNZWCQHWSPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-18-15-10-13(11-15)12-16(17-2)14-8-6-4-5-7-9-14/h8,13,15-17H,3-7,9-12H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 6 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-methylethanamine is sourced from PubChem (CID 103163072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).