1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine

C18H30N2O — CID 105026025

IUPAC1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2cncc(OC)c2)CC1
InChIInChI=1S/C18H30N2O/c1-4-5-6-14-7-9-15(10-8-14)18(19-2)16-11-17(21-3)13-20-12-16/h11-15,18-19H,4-10H2,1-3H3
InChIKeyZWJSFIJAAVOQRQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.35
Rot. Bonds7

About 1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine

1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 105026025) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID105026025
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2cncc(OC)c2)CC1
InChIInChI=1S/C18H30N2O/c1-4-5-6-14-7-9-15(10-8-14)18(19-2)16-11-17(21-3)13-20-12-16/h11-15,18-19H,4-10H2,1-3H3
InChIKeyZWJSFIJAAVOQRQ-UHFFFAOYSA-N
XLogP4.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190
1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860477
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-methylpropan-1-amine
CID 105025992
1-(4-butylcyclohexyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006471
[cyclooctyl-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105255257
N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105175259
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-propylpropan-1-amine
CID 105025931
1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80532961
1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 79991749
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 65279032

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (CID 105026025) is 1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is CCCCC1CCC(C(NC)c2cncc(OC)c2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is ZWJSFIJAAVOQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-5-6-14-7-9-15(10-8-14)18(19-2)16-11-17(21-3)13-20-12-16/h11-15,18-19H,4-10H2,1-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 290.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105026025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).