N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine

C16H22N2O — CID 141304489

IUPACN-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCn1c(CNCC2CCOCC2)cc2ccccc21
InChIInChI=1S/C16H22N2O/c1-18-15(10-14-4-2-3-5-16(14)18)12-17-11-13-6-8-19-9-7-13/h2-5,10,13,17H,6-9,11-12H2,1H3
InChIKeyHMKFDLGYWVVCBL-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.69
Rot. Bonds4

About N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine

N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 141304489) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID141304489
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCn1c(CNCC2CCOCC2)cc2ccccc21
InChIInChI=1S/C16H22N2O/c1-18-15(10-14-4-2-3-5-16(14)18)12-17-11-13-6-8-19-9-7-13/h2-5,10,13,17H,6-9,11-12H2,1H3
InChIKeyHMKFDLGYWVVCBL-UHFFFAOYSA-N
XLogP2.69
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Rimcazole
CID 53389
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
CID 121896
Rimcazole dihydrochloride
CID 53388
9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 10997754
1,2,3,4-Tetrahydropyrazino(1,2-a)indole
CID 14595509
N-(1-Methyl-1H-indol-2-ylmethyl)-N-phenylamine
CID 42776886
N-((1H-indol-2-yl)methyl)(phenyl)methanamine
CID 13680885
Pyrazino[1,2-a]indole, 1,2,3,4-tetrahydro-2,10-dimethyl-
CID 3764701
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169
9-(beta-Dimethylaminoethyl)carbazole
CID 23860
9-[3-(3,5-Dimethyl-1-piperazinyl)propyl]carbazole
CID 5072
1-Carbazol-9-yl-3-[(3-methylbutyl)amino]propan-2-ol, chloride
CID 16247239

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine (CID 141304489) is N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine is Cn1c(CNCC2CCOCC2)cc2ccccc21.
What is the InChIKey of N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is HMKFDLGYWVVCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-15(10-14-4-2-3-5-16(14)18)12-17-11-13-6-8-19-9-7-13/h2-5,10,13,17H,6-9,11-12H2,1H3.
What are the key properties of N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 141304489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).