4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine

C17H25NO — CID 82194488

IUPAC4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
SMILESCC(C)c1ccc2c(c1)OC1(CCCC1)CC2(C)N
InChIInChI=1S/C17H25NO/c1-12(2)13-6-7-14-15(10-13)19-17(8-4-5-9-17)11-16(14,3)18/h6-7,10,12H,4-5,8-9,11,18H2,1-3H3
InChIKeyDSPASBWOEZSZPX-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.08
Rot. Bonds1

About 4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine

4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine (PubChem CID 82194488) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
PubChem CID82194488
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
SMILESCC(C)c1ccc2c(c1)OC1(CCCC1)CC2(C)N
InChIInChI=1S/C17H25NO/c1-12(2)13-6-7-14-15(10-13)19-17(8-4-5-9-17)11-16(14,3)18/h6-7,10,12H,4-5,8-9,11,18H2,1-3H3
InChIKeyDSPASBWOEZSZPX-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194464
4,5,7-trimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194495
6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid
CID 82093660
1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
CID 117366356
(5-methyl-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82243155
4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid
CID 82046108
5-ethoxy-4-methylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194514
ethane;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole
CID 145165904
4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 90097750
9,9,10,10-tetramethyl-2,6-di(propan-2-yl)anthracene
CID 59611136
2,2,3,3-tetradeuterio-6-propan-2-yl-1,4-benzodioxine
CID 88993276
4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
CID 82297013

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine (CID 82194488) is 4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine is CC(C)c1ccc2c(c1)OC1(CCCC1)CC2(C)N.
What is the InChIKey of 4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
The InChIKey is DSPASBWOEZSZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)13-6-7-14-15(10-13)19-17(8-4-5-9-17)11-16(14,3)18/h6-7,10,12H,4-5,8-9,11,18H2,1-3H3.
What are the key properties of 4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine?
4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine has a molecular weight of 259.39 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 82194488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).