N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine

C19H35N — CID 155448104

IUPACN-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine
SMILESCCNC(C)C1(C2CCC(C)CC2)CCCC=CC1C
InChIInChI=1S/C19H35N/c1-5-20-17(4)19(14-8-6-7-9-16(19)3)18-12-10-15(2)11-13-18/h7,9,15-18,20H,5-6,8,10-14H2,1-4H3
InChIKeyIJUPSNQWVCWDFH-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.17
Rot. Bonds4

About N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine

N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine (PubChem CID 155448104) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine
PubChem CID155448104
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine
SMILESCCNC(C)C1(C2CCC(C)CC2)CCCC=CC1C
InChIInChI=1S/C19H35N/c1-5-20-17(4)19(14-8-6-7-9-16(19)3)18-12-10-15(2)11-13-18/h7,9,15-18,20H,5-6,8,10-14H2,1-4H3
InChIKeyIJUPSNQWVCWDFH-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine (CID 155448104) is N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine is CCNC(C)C1(C2CCC(C)CC2)CCCC=CC1C.
What is the InChIKey of N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine?
The InChIKey is IJUPSNQWVCWDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-5-20-17(4)19(14-8-6-7-9-16(19)3)18-12-10-15(2)11-13-18/h7,9,15-18,20H,5-6,8,10-14H2,1-4H3.
What are the key properties of N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine?
N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine has a molecular weight of 277.50 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-methyl-1-(4-methylcyclohexyl)cyclohept-3-en-1-yl]ethanamine is sourced from PubChem (CID 155448104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).