[2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine

C18H23N3 — CID 81047291

IUPAC[2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine
SMILESCc1cc(N2CCc3ccccc3CC2)c(CN)c(C)n1
InChIInChI=1S/C18H23N3/c1-13-11-18(17(12-19)14(2)20-13)21-9-7-15-5-3-4-6-16(15)8-10-21/h3-6,11H,7-10,12,19H2,1-2H3
InChIKeyKODILAJCVWEWAQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds2

About [2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine

[2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine (PubChem CID 81047291) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is [2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine
PubChem CID81047291
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name[2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine
SMILESCc1cc(N2CCc3ccccc3CC2)c(CN)c(C)n1
InChIInChI=1S/C18H23N3/c1-13-11-18(17(12-19)14(2)20-13)21-9-7-15-5-3-4-6-16(15)8-10-21/h3-6,11H,7-10,12,19H2,1-2H3
InChIKeyKODILAJCVWEWAQ-UHFFFAOYSA-N
XLogP2.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine (CID 81047291) is [2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine is Cc1cc(N2CCc3ccccc3CC2)c(CN)c(C)n1.
What is the InChIKey of [2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine?
The InChIKey is KODILAJCVWEWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-11-18(17(12-19)14(2)20-13)21-9-7-15-5-3-4-6-16(15)8-10-21/h3-6,11H,7-10,12,19H2,1-2H3.
What are the key properties of [2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine?
[2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81047291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).