1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C21H27N3O — CID 134075744

IUPAC1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCCN1CCC2(CC1)CC(NCc1ccccn1)c1ccccc1O2
InChIInChI=1S/C21H27N3O/c1-2-24-13-10-21(11-14-24)15-19(18-8-3-4-9-20(18)25-21)23-16-17-7-5-6-12-22-17/h3-9,12,19,23H,2,10-11,13-16H2,1H3
InChIKeyBACUFALJWHOUSD-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.55
Rot. Bonds4

About 1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 134075744) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID134075744
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESCCN1CCC2(CC1)CC(NCc1ccccn1)c1ccccc1O2
InChIInChI=1S/C21H27N3O/c1-2-24-13-10-21(11-14-24)15-19(18-8-3-4-9-20(18)25-21)23-16-17-7-5-6-12-22-17/h3-9,12,19,23H,2,10-11,13-16H2,1H3
InChIKeyBACUFALJWHOUSD-UHFFFAOYSA-N
XLogP3.55
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide
CID 131638561
N-methyl-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711983
N-methyl-2-[1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131652450
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
N,N-diethyl-2-[(4S)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376595
N,N-diethyl-2-[(4R)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376596
1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709485
(4R)-1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104946207
6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114713417
N-propan-2-yl-2-[(4R)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376445
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712287

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of 1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 134075744) is 1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for 1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for 1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is CCN1CCC2(CC1)CC(NCc1ccccn1)c1ccccc1O2.
What is the InChIKey of 1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is BACUFALJWHOUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-24-13-10-21(11-14-24)15-19(18-8-3-4-9-20(18)25-21)23-16-17-7-5-6-12-22-17/h3-9,12,19,23H,2,10-11,13-16H2,1H3.
What are the key properties of 1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 337.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 134075744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).