4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine

C18H28N2O2 — CID 10542565

IUPAC4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine
SMILESCOc1cccc2c1CC1(CCCCN1CCCCN)CO2
InChIInChI=1S/C18H28N2O2/c1-21-16-7-6-8-17-15(16)13-18(14-22-17)9-2-4-11-20(18)12-5-3-10-19/h6-8H,2-5,9-14,19H2,1H3
InChIKeyTXCIYSXYJGGUBU-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.59
Rot. Bonds5

About 4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine

4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine (PubChem CID 10542565) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine
PubChem CID10542565
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine
SMILESCOc1cccc2c1CC1(CCCCN1CCCCN)CO2
InChIInChI=1S/C18H28N2O2/c1-21-16-7-6-8-17-15(16)13-18(14-22-17)9-2-4-11-20(18)12-5-3-10-19/h6-8H,2-5,9-14,19H2,1H3
InChIKeyTXCIYSXYJGGUBU-UHFFFAOYSA-N
XLogP2.59
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[4-[(3R)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-1'-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 10765574
(5-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
CID 84722413
(3S)-5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
CID 10798912
5-[(3aS,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]pentan-1-amine
CID 21309088
ethyl 3-(5-methoxy-3-nitro-2,4-dihydrochromen-3-yl)butanoate
CID 19934906
8-methoxy-9a-methyl-2,3,4,9-tetrahydro-1H-xanthen-4a-ol
CID 139840836
1'-[3-[4-(2-fluorophenyl)-1,3-dihydroisochromen-4-yl]propyl]-6,7-dimethoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 19029032
2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione
CID 18966575
2-chloro-1-(6-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 166431911
4-[4-[(2-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 104791362
(6aS)-1-methoxy-6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzoxazepine
CID 71049810
(5-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 84722148

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine?
The IUPAC name of 4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine (CID 10542565) is 4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine.
What is the SMILES notation for 4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine?
The canonical SMILES for 4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine is COc1cccc2c1CC1(CCCCN1CCCCN)CO2.
What is the InChIKey of 4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine?
The InChIKey is TXCIYSXYJGGUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-21-16-7-6-8-17-15(16)13-18(14-22-17)9-2-4-11-20(18)12-5-3-10-19/h6-8H,2-5,9-14,19H2,1H3.
What are the key properties of 4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine?
4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine has a molecular weight of 304.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butan-1-amine is sourced from PubChem (CID 10542565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).