2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine

C11H18N4 — CID 28744763

IUPAC2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
SMILESCN1CCCN(c2ncccc2N)CC1
InChIInChI=1S/C11H18N4/c1-14-6-3-7-15(9-8-14)11-10(12)4-2-5-13-11/h2,4-5H,3,6-9,12H2,1H3
InChIKeyDJZUYSBACQACHE-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.81
Rot. Bonds1

About 2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine

2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine (PubChem CID 28744763) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
PubChem CID28744763
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
SMILESCN1CCCN(c2ncccc2N)CC1
InChIInChI=1S/C11H18N4/c1-14-6-3-7-15(9-8-14)11-10(12)4-2-5-13-11/h2,4-5H,3,6-9,12H2,1H3
InChIKeyDJZUYSBACQACHE-UHFFFAOYSA-N
XLogP0.81
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine (CID 28744763) is 2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine is CN1CCCN(c2ncccc2N)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
The InChIKey is DJZUYSBACQACHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-14-6-3-7-15(9-8-14)11-10(12)4-2-5-13-11/h2,4-5H,3,6-9,12H2,1H3.
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine is sourced from PubChem (CID 28744763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).