N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine

C16H28N4 — CID 103056522

IUPACN-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
SMILESCCCC1CCCN(Cc2cnc(NCC)cn2)CC1
InChIInChI=1S/C16H28N4/c1-3-6-14-7-5-9-20(10-8-14)13-15-11-19-16(12-18-15)17-4-2/h11-12,14H,3-10,13H2,1-2H3,(H,17,19)
InChIKeyXNIFLIAUZFFOST-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine

N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine (PubChem CID 103056522) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
PubChem CID103056522
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
SMILESCCCC1CCCN(Cc2cnc(NCC)cn2)CC1
InChIInChI=1S/C16H28N4/c1-3-6-14-7-5-9-20(10-8-14)13-15-11-19-16(12-18-15)17-4-2/h11-12,14H,3-10,13H2,1-2H3,(H,17,19)
InChIKeyXNIFLIAUZFFOST-UHFFFAOYSA-N
XLogP3.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056523
N-methyl-5-[(4-propylpiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056267
N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450
2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 103056925
5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056836
N-ethyl-5-[(3-propoxypiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056216
N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103056396
N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine
CID 103056326
N-ethyl-5-[(2-methylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103055350
5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103502336
N-propyl-6-[(4-propylazepan-1-yl)methyl]pyridin-2-amine
CID 79234189
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056527

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine (CID 103056522) is N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine is CCCC1CCCN(Cc2cnc(NCC)cn2)CC1.
What is the InChIKey of N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine?
The InChIKey is XNIFLIAUZFFOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-6-14-7-5-9-20(10-8-14)13-15-11-19-16(12-18-15)17-4-2/h11-12,14H,3-10,13H2,1-2H3,(H,17,19).
What are the key properties of N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine?
N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 103056522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).