N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine

C13H23N3 — CID 102612956

IUPACN-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1nccnc1C
InChIInChI=1S/C13H23N3/c1-5-7-12(6-2)16-11(4)13-10(3)14-8-9-15-13/h8-9,11-12,16H,5-7H2,1-4H3
InChIKeyVALQUIPEIKRHCI-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.01
Rot. Bonds6

About N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine

N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine (PubChem CID 102612956) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine
PubChem CID102612956
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1nccnc1C
InChIInChI=1S/C13H23N3/c1-5-7-12(6-2)16-11(4)13-10(3)14-8-9-15-13/h8-9,11-12,16H,5-7H2,1-4H3
InChIKeyVALQUIPEIKRHCI-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine?
The IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine (CID 102612956) is N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine?
The canonical SMILES for N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine is CCCC(CC)NC(C)c1nccnc1C.
What is the InChIKey of N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine?
The InChIKey is VALQUIPEIKRHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-7-12(6-2)16-11(4)13-10(3)14-8-9-15-13/h8-9,11-12,16H,5-7H2,1-4H3.
What are the key properties of N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine?
N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine has a molecular weight of 221.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine is sourced from PubChem (CID 102612956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).