2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine

C17H29N3O — CID 106906466

IUPAC2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC1CN(Cc2cccc(CNC(C)(C)C)n2)CCCO1
InChIInChI=1S/C17H29N3O/c1-14-12-20(9-6-10-21-14)13-16-8-5-7-15(19-16)11-18-17(2,3)4/h5,7-8,14,18H,6,9-13H2,1-4H3
InChIKeyKWJWMCOYORXDPA-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106906466) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
PubChem CID106906466
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC1CN(Cc2cccc(CNC(C)(C)C)n2)CCCO1
InChIInChI=1S/C17H29N3O/c1-14-12-20(9-6-10-21-14)13-16-8-5-7-15(19-16)11-18-17(2,3)4/h5,7-8,14,18H,6,9-13H2,1-4H3
InChIKeyKWJWMCOYORXDPA-UHFFFAOYSA-N
XLogP2.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine (CID 106906466) is 2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine is CC1CN(Cc2cccc(CNC(C)(C)C)n2)CCCO1.
What is the InChIKey of 2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is KWJWMCOYORXDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14-12-20(9-6-10-21-14)13-16-8-5-7-15(19-16)11-18-17(2,3)4/h5,7-8,14,18H,6,9-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106906466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).