1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine

C22H32N2O2 — CID 25059101

IUPAC1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
SMILESCOCCCC1(N(C)C)CCC2(CC1)OCCc1c2[nH]c2ccccc12
InChIInChI=1S/C22H32N2O2/c1-24(2)21(10-6-15-25-3)11-13-22(14-12-21)20-18(9-16-26-22)17-7-4-5-8-19(17)23-20/h4-5,7-8,23H,6,9-16H2,1-3H3
InChIKeyAXASBFBZJVBBRE-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.24
Rot. Bonds5

About 1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine

1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine (PubChem CID 25059101) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound Name1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
PubChem CID25059101
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
SMILESCOCCCC1(N(C)C)CCC2(CC1)OCCc1c2[nH]c2ccccc12
InChIInChI=1S/C22H32N2O2/c1-24(2)21(10-6-15-25-3)11-13-22(14-12-21)20-18(9-16-26-22)17-7-4-5-8-19(17)23-20/h4-5,7-8,23H,6,9-16H2,1-3H3
InChIKeyAXASBFBZJVBBRE-UHFFFAOYSA-N
XLogP4.24
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.24
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

1'-butyl-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
CID 25062480
1'-butyl-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 25062479
1'-ethyl-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 25062215
spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine];hydrochloride
CID 154919784
1'-butyl-N-ethyl-6-fluoro-N-methylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
CID 25063014
N,N-dimethyl-1'-[(Z)-1-methylsulfanylbut-1-enyl]spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;ethane
CID 143307018
N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 118711487
1-methyl-1-(2-oxo-2-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)urea
CID 135114267
1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]
CID 135087813
2-(2-methoxyphenoxy)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 135112568
1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]
CID 118711493
acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 154916173

Frequently Asked Questions

What is the IUPAC name of 1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The IUPAC name of 1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine (CID 25059101) is 1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine.
What is the SMILES notation for 1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The canonical SMILES for 1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine is COCCCC1(N(C)C)CCC2(CC1)OCCc1c2[nH]c2ccccc12.
What is the InChIKey of 1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
The InChIKey is AXASBFBZJVBBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-24(2)21(10-6-15-25-3)11-13-22(14-12-21)20-18(9-16-26-22)17-7-4-5-8-19(17)23-20/h4-5,7-8,23H,6,9-16H2,1-3H3.
What are the key properties of 1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine?
1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine has a molecular weight of 356.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methoxypropyl)-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 25059101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).