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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Related Compounds

(4R)-1-N-[3-(cycloheptylmethylamino)propyl]cyclohept-2-ene-1,4-diamine
CID 44288208
(1R,4S)-N1-[3-(cycloheptylmethylamino)propyl]cyclohept-2-ene-1,4-diamine
CID 487179
N-[(2-ethenyl-4-ethyl-5-fluoro-4-pentylcyclohept-2-en-1-yl)methyl]-2,3,8-trimethyl-7-propylcyclooct-2-en-1-amine
CID 123673126
N-[(4-butyl-2-ethenyl-5-fluoro-4-methylcycloheptyl)methyl]-2,4,4,7-tetramethylbicyclo[3.3.2]dec-1-en-3-amine
CID 123777948
5-butyl-N-[(7-butyl-7-ethenyl-5-ethyl-4-fluoro-5-methylcyclohept-2-en-1-yl)methyl]-4-ethylcyclohepta-2,5-dien-1-amine
CID 123780514
N-butyl-4-[(6E,8E)-9-fluoro-5,6-dimethylundeca-6,8-dien-2-yl]cycloheptan-1-amine
CID 130256882
N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine
CID 130371419
4-fluoro-3-methyl-N-(3,3,8-trimethyldecan-2-yl)cyclohepta-2,4,6-trien-1-amine
CID 144167138
3-[(Z)-but-2-en-2-yl]-2-[(2Z,4E,6Z)-6-fluoronona-2,4,6-trien-4-yl]-5,6-dimethylpiperidine
CID 169593065
(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine
CID 134999587
(7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine
CID 142281429
2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940470

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).