1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine

C16H24N2O — CID 114709485

IUPAC1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
SMILESCCN1CCCC2(CC1)CC(N)c1ccccc1O2
InChIInChI=1S/C16H24N2O/c1-2-18-10-5-8-16(9-11-18)12-14(17)13-6-3-4-7-15(13)19-16/h3-4,6-7,14H,2,5,8-12,17H2,1H3
InChIKeyMHZUQARJCCBHPB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.71
Rot. Bonds1

About 1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine

1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine (PubChem CID 114709485) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine.

Molecular Properties

Compound Name1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
PubChem CID114709485
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
SMILESCCN1CCCC2(CC1)CC(N)c1ccccc1O2
InChIInChI=1S/C16H24N2O/c1-2-18-10-5-8-16(9-11-18)12-14(17)13-6-3-4-7-15(13)19-16/h3-4,6-7,14H,2,5,8-12,17H2,1H3
InChIKeyMHZUQARJCCBHPB-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104946207
1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709709
(4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104947934
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947258
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114714975
ethyl (4S)-4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509556
7-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709337

Frequently Asked Questions

What is the IUPAC name of 1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The IUPAC name of 1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine (CID 114709485) is 1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine.
What is the SMILES notation for 1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The canonical SMILES for 1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine is CCN1CCCC2(CC1)CC(N)c1ccccc1O2.
What is the InChIKey of 1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The InChIKey is MHZUQARJCCBHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-18-10-5-8-16(9-11-18)12-14(17)13-6-3-4-7-15(13)19-16/h3-4,6-7,14H,2,5,8-12,17H2,1H3.
What are the key properties of 1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine is sourced from PubChem (CID 114709485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).