(5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane

C22H37NO2 — CID 142881740

IUPAC(5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane
SMILESC=C1c2cc(OC)c(OC)cc2CC1CN.CCCCCCCCC
InChIInChI=1S/C13H17NO2.C9H20/c1-8-10(7-14)4-9-5-12(15-2)13(16-3)6-11(8)9;1-3-5-7-9-8-6-4-2/h5-6,10H,1,4,7,14H2,2-3H3;3-9H2,1-2H3
InChIKeySXBQNWILIKVWFQ-UHFFFAOYSA-N
MW347.54 g/mol
LogP5.60
Rot. Bonds9

About (5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane

(5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane (PubChem CID 142881740) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is (5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane.

Molecular Properties

Compound Name(5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane
PubChem CID142881740
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name(5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane
SMILESC=C1c2cc(OC)c(OC)cc2CC1CN.CCCCCCCCC
InChIInChI=1S/C13H17NO2.C9H20/c1-8-10(7-14)4-9-5-12(15-2)13(16-3)6-11(8)9;1-3-5-7-9-8-6-4-2/h5-6,10H,1,4,7,14H2,2-3H3;3-9H2,1-2H3
InChIKeySXBQNWILIKVWFQ-UHFFFAOYSA-N
XLogP5.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(7S)-7-(aminomethyl)-4-methoxy-3-bicyclo[4.2.0]octa-1,3,5-trienyl] hypochlorite
CID 134409805
(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene
CID 147197844
3-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]propan-1-amine
CID 68972528
7-(iodomethyl)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene
CID 46849743
2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 22755555
1-hexyl-6,7-dimethoxy-3,4-dihydro-1H-isochromene
CID 102074325
2-(4-tert-butylphenyl)-6,7-dimethoxy-3-methyl-1-pentadecyl-3,4-dihydroisoquinolin-2-ium chloride
CID 172723843
N'-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-N'-methylethane-1,2-diamine
CID 68533266
2,3-dimethoxy-9,10-dihydrophenanthren-9-amine
CID 70537938
9,14,19,24,26,28,30,32,34-nonamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8(33),9,11(32),13(31),14,16(30),18,20,23,26,28,34-pentadecaen-4-ol;octan-1-amine;hydrate
CID 139088614
2-[(E)-but-2-enyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 19036380
1-[(7R)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N,N-dimethylmethanamine
CID 175747114

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane?
The IUPAC name of (5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane (CID 142881740) is (5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane.
What is the SMILES notation for (5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane?
The canonical SMILES for (5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane is C=C1c2cc(OC)c(OC)cc2CC1CN.CCCCCCCCC.
What is the InChIKey of (5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane?
The InChIKey is SXBQNWILIKVWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C9H20/c1-8-10(7-14)4-9-5-12(15-2)13(16-3)6-11(8)9;1-3-5-7-9-8-6-4-2/h5-6,10H,1,4,7,14H2,2-3H3;3-9H2,1-2H3.
What are the key properties of (5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane?
(5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane has a molecular weight of 347.54 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-3-methylidene-1,2-dihydroinden-2-yl)methanamine;nonane is sourced from PubChem (CID 142881740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).