N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C17H25NO — CID 114712701

IUPACN-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCNC1CC2(CCC(C)C2)Oc2ccc(C)cc21
InChIInChI=1S/C17H25NO/c1-4-18-15-11-17(8-7-13(3)10-17)19-16-6-5-12(2)9-14(15)16/h5-6,9,13,15,18H,4,7-8,10-11H2,1-3H3
InChIKeyWZGCGPHJIUPFNU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.99
Rot. Bonds2

About N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 114712701) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound NameN-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID114712701
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCNC1CC2(CCC(C)C2)Oc2ccc(C)cc21
InChIInChI=1S/C17H25NO/c1-4-18-15-11-17(8-7-13(3)10-17)19-16-6-5-12(2)9-14(15)16/h5-6,9,13,15,18H,4,7-8,10-11H2,1-3H3
InChIKeyWZGCGPHJIUPFNU-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712784
3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715175
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239
3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712836
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114712757
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 114712825
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 114712696
3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825138
N',N'-dimethyl-N-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462678

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 114712701) is N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CCNC1CC2(CCC(C)C2)Oc2ccc(C)cc21.
What is the InChIKey of N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is WZGCGPHJIUPFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-18-15-11-17(8-7-13(3)10-17)19-16-6-5-12(2)9-14(15)16/h5-6,9,13,15,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 259.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 114712701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).