N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine

C15H25N3O — CID 107381855

IUPACN-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(OC2CCCCCC2)cn1
InChIInChI=1S/C15H25N3O/c1-2-9-16-10-13-11-18-15(12-17-13)19-14-7-5-3-4-6-8-14/h11-12,14,16H,2-10H2,1H3
InChIKeyOMLGYIIBCUKSHH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.08
Rot. Bonds6

About N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine

N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 107381855) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID107381855
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(OC2CCCCCC2)cn1
InChIInChI=1S/C15H25N3O/c1-2-9-16-10-13-11-18-15(12-17-13)19-14-7-5-3-4-6-8-14/h11-12,14,16H,2-10H2,1H3
InChIKeyOMLGYIIBCUKSHH-UHFFFAOYSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.08
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-cyclohexyloxypyridazin-3-yl)methyl]propan-1-amine
CID 55058665
N-[(2-cyclopentyloxy-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 114221160
N-[[5-(3,5-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]ethanamine
CID 107382222
N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382055
2-methyl-N-[[5-(oxan-4-yloxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381295
N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380366
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380858
N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
CID 63490204
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]propan-2-amine
CID 107381290
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 55058768

Frequently Asked Questions

What is the IUPAC name of N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine (CID 107381855) is N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine is CCCNCc1cnc(OC2CCCCCC2)cn1.
What is the InChIKey of N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is OMLGYIIBCUKSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-9-16-10-13-11-18-15(12-17-13)19-14-7-5-3-4-6-8-14/h11-12,14,16H,2-10H2,1H3.
What are the key properties of N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine?
N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cycloheptyloxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107381855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).