2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine

C17H27N3O — CID 131909403

IUPAC2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine
SMILESCc1cc(NCC2(N3CCOCC3)CCCCC2)ccn1
InChIInChI=1S/C17H27N3O/c1-15-13-16(5-8-18-15)19-14-17(6-3-2-4-7-17)20-9-11-21-12-10-20/h5,8,13H,2-4,6-7,9-12,14H2,1H3,(H,18,19)
InChIKeyIFGAZURWHCWQFH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.84
Rot. Bonds4

About 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine

2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine (PubChem CID 131909403) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine
PubChem CID131909403
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine
SMILESCc1cc(NCC2(N3CCOCC3)CCCCC2)ccn1
InChIInChI=1S/C17H27N3O/c1-15-13-16(5-8-18-15)19-14-17(6-3-2-4-7-17)20-9-11-21-12-10-20/h5,8,13H,2-4,6-7,9-12,14H2,1H3,(H,18,19)
InChIKeyIFGAZURWHCWQFH-UHFFFAOYSA-N
XLogP2.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine?
The IUPAC name of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine (CID 131909403) is 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine?
The canonical SMILES for 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine is Cc1cc(NCC2(N3CCOCC3)CCCCC2)ccn1.
What is the InChIKey of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine?
The InChIKey is IFGAZURWHCWQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-15-13-16(5-8-18-15)19-14-17(6-3-2-4-7-17)20-9-11-21-12-10-20/h5,8,13H,2-4,6-7,9-12,14H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine?
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine has a molecular weight of 289.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine is sourced from PubChem (CID 131909403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).