2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine

C15H30N2O — CID 63937896

IUPAC2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)11-16-12-14-3-7-17(8-4-14)15-5-9-18-10-6-15/h13-16H,3-12H2,1-2H3
InChIKeyJCOQQKCKVZXVSN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds5

About 2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 63937896) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID63937896
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)11-16-12-14-3-7-17(8-4-14)15-5-9-18-10-6-15/h13-16H,3-12H2,1-2H3
InChIKeyJCOQQKCKVZXVSN-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109641
N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 64738083
N-[[1-(2,2-dimethyloxan-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 83028563
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
CID 16886802
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
CID 55257021
3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol
CID 114249996
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetonitrile
CID 63849301
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
2-methyl-N-[[1-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 79358955
N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55066116
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine (CID 63937896) is 2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine is CC(C)CNCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is JCOQQKCKVZXVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)11-16-12-14-3-7-17(8-4-14)15-5-9-18-10-6-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 63937896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).