N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine

C18H23N3 — CID 81249037

IUPACN-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(N2CCc3ccccc32)c(CNC(C)C)cn1
InChIInChI=1S/C18H23N3/c1-13(2)19-11-16-12-20-14(3)10-18(16)21-9-8-15-6-4-5-7-17(15)21/h4-7,10,12-13,19H,8-9,11H2,1-3H3
InChIKeySEPAETSANBXKAJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.58
Rot. Bonds4

About N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine

N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81249037) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID81249037
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(N2CCc3ccccc32)c(CNC(C)C)cn1
InChIInChI=1S/C18H23N3/c1-13(2)19-11-16-12-20-14(3)10-18(16)21-9-8-15-6-4-5-7-17(15)21/h4-7,10,12-13,19H,8-9,11H2,1-3H3
InChIKeySEPAETSANBXKAJ-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine (CID 81249037) is N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(N2CCc3ccccc32)c(CNC(C)C)cn1.
What is the InChIKey of N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is SEPAETSANBXKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13(2)19-11-16-12-20-14(3)10-18(16)21-9-8-15-6-4-5-7-17(15)21/h4-7,10,12-13,19H,8-9,11H2,1-3H3.
What are the key properties of N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81249037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).