4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane

C18H33N — CID 143961293

IUPAC4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane
SMILESCC.CCNC1C=CC(C2CCCCCC2)=CCC1
InChIInChI=1S/C16H27N.C2H6/c1-2-17-16-11-7-10-15(12-13-16)14-8-5-3-4-6-9-14;1-2/h10,12-14,16-17H,2-9,11H2,1H3;1-2H3
InChIKeyAYDGDKILJNXJRE-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.24
Rot. Bonds3

About 4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane

4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane (PubChem CID 143961293) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane.

Molecular Properties

Compound Name4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane
PubChem CID143961293
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane
SMILESCC.CCNC1C=CC(C2CCCCCC2)=CCC1
InChIInChI=1S/C16H27N.C2H6/c1-2-17-16-11-7-10-15(12-13-16)14-8-5-3-4-6-9-14;1-2/h10,12-14,16-17H,2-9,11H2,1H3;1-2H3
InChIKeyAYDGDKILJNXJRE-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane?
The IUPAC name of 4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane (CID 143961293) is 4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane.
What is the SMILES notation for 4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane?
The canonical SMILES for 4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane is CC.CCNC1C=CC(C2CCCCCC2)=CCC1.
What is the InChIKey of 4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane?
The InChIKey is AYDGDKILJNXJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N.C2H6/c1-2-17-16-11-7-10-15(12-13-16)14-8-5-3-4-6-9-14;1-2/h10,12-14,16-17H,2-9,11H2,1H3;1-2H3.
What are the key properties of 4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane?
4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane has a molecular weight of 263.47 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-N-ethylcyclohepta-2,4-dien-1-amine;ethane is sourced from PubChem (CID 143961293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).