3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine

C18H26N2O — CID 82046989

IUPAC3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine
SMILESCc1ccc2c(c1C)OC1(C=C2)CCN(CCCN)CC1
InChIInChI=1S/C18H26N2O/c1-14-4-5-16-6-7-18(21-17(16)15(14)2)8-12-20(13-9-18)11-3-10-19/h4-7H,3,8-13,19H2,1-2H3
InChIKeyAPFBRCBLMVSWPA-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.89
Rot. Bonds3

About 3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine

3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine (PubChem CID 82046989) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine
PubChem CID82046989
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine
SMILESCc1ccc2c(c1C)OC1(C=C2)CCN(CCCN)CC1
InChIInChI=1S/C18H26N2O/c1-14-4-5-16-6-7-18(21-17(16)15(14)2)8-12-20(13-9-18)11-3-10-19/h4-7H,3,8-13,19H2,1-2H3
InChIKeyAPFBRCBLMVSWPA-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine?
The IUPAC name of 3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine (CID 82046989) is 3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine.
What is the SMILES notation for 3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine?
The canonical SMILES for 3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine is Cc1ccc2c(c1C)OC1(C=C2)CCN(CCCN)CC1.
What is the InChIKey of 3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine?
The InChIKey is APFBRCBLMVSWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-4-5-16-6-7-18(21-17(16)15(14)2)8-12-20(13-9-18)11-3-10-19/h4-7H,3,8-13,19H2,1-2H3.
What are the key properties of 3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine?
3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine is sourced from PubChem (CID 82046989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).