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

C19H29NO — CID 114712836

IUPAC3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCCNC1CC2(CCC(CC)C2)Oc2ccc(C)cc21
InChIInChI=1S/C19H29NO/c1-4-10-20-17-13-19(9-8-15(5-2)12-19)21-18-7-6-14(3)11-16(17)18/h6-7,11,15,17,20H,4-5,8-10,12-13H2,1-3H3
InChIKeyMUGGSJQXRHJJIS-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.77
Rot. Bonds4

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

3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 114712836) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID114712836
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCCNC1CC2(CCC(CC)C2)Oc2ccc(C)cc21
InChIInChI=1S/C19H29NO/c1-4-10-20-17-13-19(9-8-15(5-2)12-19)21-18-7-6-14(3)11-16(17)18/h6-7,11,15,17,20H,4-5,8-10,12-13H2,1-3H3
InChIKeyMUGGSJQXRHJJIS-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 114712825
3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825138
N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712701
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712823
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712784
2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712872
N',N'-dimethyl-N-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462678
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547
6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713557
5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511864

Frequently Asked Questions

What is the IUPAC name of 3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 114712836) is 3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CCCNC1CC2(CCC(CC)C2)Oc2ccc(C)cc21.
What is the InChIKey of 3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is MUGGSJQXRHJJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-10-20-17-13-19(9-8-15(5-2)12-19)21-18-7-6-14(3)11-16(17)18/h6-7,11,15,17,20H,4-5,8-10,12-13H2,1-3H3.
What are the key properties of 3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 287.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 114712836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).