N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C18H27NO — CID 82462884

IUPACN-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCCCC2)Oc2c1ccc(C)c2C
InChIInChI=1S/C18H27NO/c1-4-19-16-12-18(10-6-5-7-11-18)20-17-14(3)13(2)8-9-15(16)17/h8-9,16,19H,4-7,10-12H2,1-3H3
InChIKeyOEQDUCBUHIKMAW-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.44
Rot. Bonds2

About N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 82462884) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound NameN-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID82462884
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCCCC2)Oc2c1ccc(C)c2C
InChIInChI=1S/C18H27NO/c1-4-19-16-12-18(10-6-5-7-11-18)20-17-14(3)13(2)8-9-15(16)17/h8-9,16,19H,4-7,10-12H2,1-3H3
InChIKeyOEQDUCBUHIKMAW-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462914
6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462710
N',N'-diethyl-N-(2,2,7,8-tetramethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461834
7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462770
N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462196
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462867
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239
N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462666
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 82462884) is N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCNC1CC2(CCCCC2)Oc2c1ccc(C)c2C.
What is the InChIKey of N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is OEQDUCBUHIKMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-19-16-12-18(10-6-5-7-11-18)20-17-14(3)13(2)8-9-15(16)17/h8-9,16,19H,4-7,10-12H2,1-3H3.
What are the key properties of N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 273.42 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 82462884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).