1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine

C16H28N4O — CID 104515854

IUPAC1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCNC(c1nccnc1OC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H28N4O/c1-17-14(13-15(21-4)19-12-11-18-13)16(20(2)3)9-7-5-6-8-10-16/h11-12,14,17H,5-10H2,1-4H3
InChIKeyHCWSXVOBDOTIGW-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.40
Rot. Bonds5

About 1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine

1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 104515854) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID104515854
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCNC(c1nccnc1OC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H28N4O/c1-17-14(13-15(21-4)19-12-11-18-13)16(20(2)3)9-7-5-6-8-10-16/h11-12,14,17H,5-10H2,1-4H3
InChIKeyHCWSXVOBDOTIGW-UHFFFAOYSA-N
XLogP2.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine (CID 104515854) is 1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine is CNC(c1nccnc1OC)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is HCWSXVOBDOTIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-17-14(13-15(21-4)19-12-11-18-13)16(20(2)3)9-7-5-6-8-10-16/h11-12,14,17H,5-10H2,1-4H3.
What are the key properties of 1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 104515854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).