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

C12H21N3O — CID 66451389

IUPACN-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine
SMILESCCCCOc1cncc(CNC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-4-5-6-16-12-9-13-7-11(15-12)8-14-10(2)3/h7,9-10,14H,4-6,8H2,1-3H3
InChIKeyCOKMEVFKEQAICP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.15
Rot. Bonds7

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

N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine (PubChem CID 66451389) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine
PubChem CID66451389
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine
SMILESCCCCOc1cncc(CNC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-4-5-6-16-12-9-13-7-11(15-12)8-14-10(2)3/h7,9-10,14H,4-6,8H2,1-3H3
InChIKeyCOKMEVFKEQAICP-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.15
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-hexoxypyrazin-2-yl)methyl]propan-2-amine
CID 66449819
N-[(6-ethoxypyrazin-2-yl)methyl]propan-2-amine
CID 66450778
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66451575
N-[[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-2-amine
CID 66451348
N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66450987
N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66450851
N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine
CID 66451386
(6-pentoxypyrazin-2-yl)methanol
CID 66465943
N-[[6-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methyl]ethanamine
CID 66450004
N-[[6-(oxan-2-ylmethoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450584

Frequently Asked Questions

What is the IUPAC name of N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine (CID 66451389) is N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine is CCCCOc1cncc(CNC(C)C)n1.
What is the InChIKey of N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine?
The InChIKey is COKMEVFKEQAICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-6-16-12-9-13-7-11(15-12)8-14-10(2)3/h7,9-10,14H,4-6,8H2,1-3H3.
What are the key properties of N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine?
N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66451389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).