N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine

C15H26N4 — CID 66449940

IUPACN-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine
SMILESCNCc1cncc(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C15H26N4/c1-12(2)13-5-4-7-19(8-6-13)15-11-17-10-14(18-15)9-16-3/h10-13,16H,4-9H2,1-3H3
InChIKeyMYJFJSMPVZKXRS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.46
Rot. Bonds4

About N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine

N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine (PubChem CID 66449940) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine
PubChem CID66449940
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine
SMILESCNCc1cncc(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C15H26N4/c1-12(2)13-5-4-7-19(8-6-13)15-11-17-10-14(18-15)9-16-3/h10-13,16H,4-9H2,1-3H3
InChIKeyMYJFJSMPVZKXRS-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol
CID 66467076
2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66449530
N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66449148
N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 66449329
N-methyl-1-[6-(3-propoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66451853
N-methyl-1-[6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine
CID 81199271
1-[5-chloro-2-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926604
2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 59598902
N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine
CID 66456780
N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
CID 105074040
N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrazin-2-amine
CID 113244048
N-[[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66458129

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine (CID 66449940) is N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine is CNCc1cncc(N2CCCC(C(C)C)CC2)n1.
What is the InChIKey of N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine?
The InChIKey is MYJFJSMPVZKXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)13-5-4-7-19(8-6-13)15-11-17-10-14(18-15)9-16-3/h10-13,16H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine?
N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 66449940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).