4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine

C13H23N3 — CID 115891455

IUPAC4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine
SMILESCC(NCCCC(C)(C)C)c1cnccn1
InChIInChI=1S/C13H23N3/c1-11(12-10-14-8-9-16-12)15-7-5-6-13(2,3)4/h8-11,15H,5-7H2,1-4H3
InChIKeyOGORHUBKGIRRNB-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.95
Rot. Bonds5

About 4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine

4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine (PubChem CID 115891455) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine
PubChem CID115891455
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine
SMILESCC(NCCCC(C)(C)C)c1cnccn1
InChIInChI=1S/C13H23N3/c1-11(12-10-14-8-9-16-12)15-7-5-6-13(2,3)4/h8-11,15H,5-7H2,1-4H3
InChIKeyOGORHUBKGIRRNB-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 81343203
5-methyl-N-(1-pyrazin-2-ylethyl)hexan-1-amine
CID 81338055
N-(2-cyclobutylethyl)-1-pyrazin-2-ylethanamine
CID 115893473
2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine
CID 79552239
N,4,4-trimethyl-1-pyrazin-2-ylpentan-1-amine
CID 62601001
ethyl 4-(1-pyrazin-2-ylethylamino)butanoate
CID 64580462
3-methylsulfinyl-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 115894563
1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 115712106
3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine
CID 97066688
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol
CID 115921095
1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 103787955

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine (CID 115891455) is 4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine is CC(NCCCC(C)(C)C)c1cnccn1.
What is the InChIKey of 4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine?
The InChIKey is OGORHUBKGIRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(12-10-14-8-9-16-12)15-7-5-6-13(2,3)4/h8-11,15H,5-7H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine?
4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine is sourced from PubChem (CID 115891455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).