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

C16H23NO — CID 114712548

IUPACN,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCNC1CC2(CCCC2C)Oc2ccc(C)cc21
InChIInChI=1S/C16H23NO/c1-11-6-7-15-13(9-11)14(17-3)10-16(18-15)8-4-5-12(16)2/h6-7,9,12,14,17H,4-5,8,10H2,1-3H3
InChIKeyIJZXITZAUIPCGY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.60
Rot. Bonds1

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

N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 114712548) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound NameN,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID114712548
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCNC1CC2(CCCC2C)Oc2ccc(C)cc21
InChIInChI=1S/C16H23NO/c1-11-6-7-15-13(9-11)14(17-3)10-16(18-15)8-4-5-12(16)2/h6-7,9,12,14,17H,4-5,8,10H2,1-3H3
InChIKeyIJZXITZAUIPCGY-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 114712548) is N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CNC1CC2(CCCC2C)Oc2ccc(C)cc21.
What is the InChIKey of N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is IJZXITZAUIPCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-6-7-15-13(9-11)14(17-3)10-16(18-15)8-4-5-12(16)2/h6-7,9,12,14,17H,4-5,8,10H2,1-3H3.
What are the key properties of N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 114712548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).