N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine

C15H26N4 — CID 103056527

IUPACN-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
SMILESCNc1cnc(CN2CCCC(C(C)C)CC2)cn1
InChIInChI=1S/C15H26N4/c1-12(2)13-5-4-7-19(8-6-13)11-14-9-18-15(16-3)10-17-14/h9-10,12-13H,4-8,11H2,1-3H3,(H,16,18)
InChIKeyNGOKWLPWXBIVAZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.78
Rot. Bonds4

About N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine

N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine (PubChem CID 103056527) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
PubChem CID103056527
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
SMILESCNc1cnc(CN2CCCC(C(C)C)CC2)cn1
InChIInChI=1S/C15H26N4/c1-12(2)13-5-4-7-19(8-6-13)11-14-9-18-15(16-3)10-17-14/h9-10,12-13H,4-8,11H2,1-3H3,(H,16,18)
InChIKeyNGOKWLPWXBIVAZ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103502422
N-methyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056523
5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103502336
N-methyl-5-[(4-propylpiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056267
5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 106588865
N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124944029
4-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidin-3-ol
CID 103056974
N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056522
N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 110112709
N-methyl-5-[[(4R)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124994699
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 103056944
N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine (CID 103056527) is N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine is CNc1cnc(CN2CCCC(C(C)C)CC2)cn1.
What is the InChIKey of N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine?
The InChIKey is NGOKWLPWXBIVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)13-5-4-7-19(8-6-13)11-14-9-18-15(16-3)10-17-14/h9-10,12-13H,4-8,11H2,1-3H3,(H,16,18).
What are the key properties of N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine?
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 103056527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).