5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine

C16H30N4 — CID 107871217

IUPAC5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine
SMILESCNCc1cnc(N(CCC(C)C)CCC(C)C)cn1
InChIInChI=1S/C16H30N4/c1-13(2)6-8-20(9-7-14(3)4)16-12-18-15(10-17-5)11-19-16/h11-14,17H,6-10H2,1-5H3
InChIKeyRJAVSZIBUYPWMB-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.09
Rot. Bonds9

About 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine

5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine (PubChem CID 107871217) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine
PubChem CID107871217
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine
SMILESCNCc1cnc(N(CCC(C)C)CCC(C)C)cn1
InChIInChI=1S/C16H30N4/c1-13(2)6-8-20(9-7-14(3)4)16-12-18-15(10-17-5)11-19-16/h11-14,17H,6-10H2,1-5H3
InChIKeyRJAVSZIBUYPWMB-UHFFFAOYSA-N
XLogP3.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(methylaminomethyl)-N-(3-methylbutyl)pyrazin-2-amine
CID 107379708
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107870528
5-(methylaminomethyl)-N-propan-2-yl-N-propylpyrazin-2-amine
CID 107379107
N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379342
N-cyclopentyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyrazin-2-amine
CID 107380576
5-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 107379383
6-N-methyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
CID 107871767
N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine
CID 107380932
N-ethyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379098
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
CID 107871472
N-ethyl-5-[(propan-2-ylamino)methyl]-N-propylpyrazin-2-amine
CID 107379089
N-[2-[5-(methylaminomethyl)pyrazin-2-yl]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 107382359

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine (CID 107871217) is 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine is CNCc1cnc(N(CCC(C)C)CCC(C)C)cn1.
What is the InChIKey of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine?
The InChIKey is RJAVSZIBUYPWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-13(2)6-8-20(9-7-14(3)4)16-12-18-15(10-17-5)11-19-16/h11-14,17H,6-10H2,1-5H3.
What are the key properties of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine?
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine is sourced from PubChem (CID 107871217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).