N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine

C14H25N3O — CID 66449819

IUPACN-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine
SMILESCCCCCCOc1cncc(CNC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-4-5-6-7-8-18-14-11-15-9-13(17-14)10-16-12(2)3/h9,11-12,16H,4-8,10H2,1-3H3
InChIKeyPVNSKWPCPFWGRF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.93
Rot. Bonds9

About N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine

N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine (PubChem CID 66449819) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine
PubChem CID66449819
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine
SMILESCCCCCCOc1cncc(CNC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-4-5-6-7-8-18-14-11-15-9-13(17-14)10-16-12(2)3/h9,11-12,16H,4-8,10H2,1-3H3
InChIKeyPVNSKWPCPFWGRF-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451389
N-[(6-ethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66450778
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
(6-pentoxypyrazin-2-yl)methanol
CID 66465943
N-[(6-octoxypyridazin-3-yl)methyl]propan-2-amine
CID 62290047
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66450851
N-[[6-(oxan-2-ylmethoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450584
N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66451575
N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine
CID 66451386
N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine
CID 66450004
N-[[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-2-amine
CID 66451348

Frequently Asked Questions

What is the IUPAC name of N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine (CID 66449819) is N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine is CCCCCCOc1cncc(CNC(C)C)n1.
What is the InChIKey of N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine?
The InChIKey is PVNSKWPCPFWGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-5-6-7-8-18-14-11-15-9-13(17-14)10-16-12(2)3/h9,11-12,16H,4-8,10H2,1-3H3.
What are the key properties of N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine?
N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66449819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).