N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine

C13H22N4 — CID 83064744

IUPACN-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCCN1CCCCCC1
InChIInChI=1S/C13H22N4/c1-12-13(15-7-6-14-12)16-8-11-17-9-4-2-3-5-10-17/h6-7H,2-5,8-11H2,1H3,(H,15,16)
InChIKeyYIASVFMOXPXWIU-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine

N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine (PubChem CID 83064744) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine
PubChem CID83064744
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCCN1CCCCCC1
InChIInChI=1S/C13H22N4/c1-12-13(15-7-6-14-12)16-8-11-17-9-4-2-3-5-10-17/h6-7H,2-5,8-11H2,1H3,(H,15,16)
InChIKeyYIASVFMOXPXWIU-UHFFFAOYSA-N
XLogP2.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-pyrrolidin-1-ylethyl)pyrazin-2-amine
CID 62634309
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol
CID 18695916
1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one
CID 62927574
3-(2-piperidin-1-ylethylamino)-1-propan-2-ylpyrazin-2-one
CID 55156035
2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
CID 133351386
4-methyl-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
CID 60659900
N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326640
5-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazol-2-amine
CID 106565075
6-methyl-2-N-(2-piperidin-1-ylethyl)pyridine-2,3-diamine
CID 81132438
1-[2-(azepan-1-yl)ethylamino]isoquinolin-7-ol
CID 106537916

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine (CID 83064744) is N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine is Cc1nccnc1NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine?
The InChIKey is YIASVFMOXPXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-12-13(15-7-6-14-12)16-8-11-17-9-4-2-3-5-10-17/h6-7H,2-5,8-11H2,1H3,(H,15,16).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine?
N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 83064744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).