N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine

C18H21N3 — CID 107235688

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
SMILESCc1cccnc1CNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C18H21N3/c1-13-7-6-10-20-16(13)11-19-12-18-14(2)15-8-4-5-9-17(15)21(18)3/h4-10,19H,11-12H2,1-3H3
InChIKeyQRMDGBDHRIKMTJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.48
Rot. Bonds4

About N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine

N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine (PubChem CID 107235688) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
PubChem CID107235688
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
SMILESCc1cccnc1CNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C18H21N3/c1-13-7-6-10-20-16(13)11-19-12-18-14(2)15-8-4-5-9-17(15)21(18)3/h4-10,19H,11-12H2,1-3H3
InChIKeyQRMDGBDHRIKMTJ-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 107234763
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 107236118
1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107235680
N-[(1,3-dimethylindol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 107235601
N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 107236351
1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234583
1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234683
1-methyl-4-[(3-methyl-2-pyridinyl)methylamino]quinolin-2-one
CID 81244773
3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol
CID 107235809
N-[(3-methyl-2-pyridinyl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 63305484
2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine
CID 107236049

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine (CID 107235688) is N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine is Cc1cccnc1CNCc1c(C)c2ccccc2n1C.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine?
The InChIKey is QRMDGBDHRIKMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-7-6-10-20-16(13)11-19-12-18-14(2)15-8-4-5-9-17(15)21(18)3/h4-10,19H,11-12H2,1-3H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine?
N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine has a molecular weight of 279.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 107235688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).