1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine

C20H29N5 — CID 90332700

IUPAC1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine
SMILESCN1CCN(C)CC(C)(N(Cc2ccccn2)Cc2ccccn2)C1
InChIInChI=1S/C20H29N5/c1-20(16-23(2)12-13-24(3)17-20)25(14-18-8-4-6-10-21-18)15-19-9-5-7-11-22-19/h4-11H,12-17H2,1-3H3
InChIKeyXARSAAOQCDEKQT-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.11
Rot. Bonds5

About 1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine

1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine (PubChem CID 90332700) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine.

Molecular Properties

Compound Name1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine
PubChem CID90332700
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine
SMILESCN1CCN(C)CC(C)(N(Cc2ccccn2)Cc2ccccn2)C1
InChIInChI=1S/C20H29N5/c1-20(16-23(2)12-13-24(3)17-20)25(14-18-8-4-6-10-21-18)15-19-9-5-7-11-22-19/h4-11H,12-17H2,1-3H3
InChIKeyXARSAAOQCDEKQT-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine?
The IUPAC name of 1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine (CID 90332700) is 1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine.
What is the SMILES notation for 1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine?
The canonical SMILES for 1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine is CN1CCN(C)CC(C)(N(Cc2ccccn2)Cc2ccccn2)C1.
What is the InChIKey of 1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine?
The InChIKey is XARSAAOQCDEKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-20(16-23(2)12-13-24(3)17-20)25(14-18-8-4-6-10-21-18)15-19-9-5-7-11-22-19/h4-11H,12-17H2,1-3H3.
What are the key properties of 1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine?
1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine has a molecular weight of 339.49 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)-1,4-diazepan-6-amine is sourced from PubChem (CID 90332700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).