1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine

C16H27N3 — CID 115860477

IUPAC1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCCCCC1CCC(C(NC)c2cnccn2)CC1
InChIInChI=1S/C16H27N3/c1-3-4-5-13-6-8-14(9-7-13)16(17-2)15-12-18-10-11-19-15/h10-14,16-17H,3-9H2,1-2H3
InChIKeyMDCOTGJAHYPHBZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.73
Rot. Bonds6

About 1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine

1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine (PubChem CID 115860477) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
PubChem CID115860477
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCCCCC1CCC(C(NC)c2cnccn2)CC1
InChIInChI=1S/C16H27N3/c1-3-4-5-13-6-8-14(9-7-13)16(17-2)15-12-18-10-11-19-15/h10-14,16-17H,3-9H2,1-2H3
InChIKeyMDCOTGJAHYPHBZ-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64775844
1-cyclopentyl-N-methyl-1-pyrazin-2-ylmethanamine
CID 60818557
1-(4-butylcyclohexyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006471
1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026025
N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine
CID 80611076
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine
CID 65413779
1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 55196072
1-(4-butylcyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649544
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 104515711
1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80532961

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine (CID 115860477) is 1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine is CCCCC1CCC(C(NC)c2cnccn2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The InChIKey is MDCOTGJAHYPHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-4-5-13-6-8-14(9-7-13)16(17-2)15-12-18-10-11-19-15/h10-14,16-17H,3-9H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine?
1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 115860477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).