N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine

C15H30N2O — CID 79716147

IUPACN-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCNCC1)CC1CCCOC1
InChIInChI=1S/C15H30N2O/c1-13(2)17(10-14-5-7-16-8-6-14)11-15-4-3-9-18-12-15/h13-16H,3-12H2,1-2H3
InChIKeyXYCRUYWIJUBRPB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds5

About N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine

N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79716147) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79716147
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCNCC1)CC1CCCOC1
InChIInChI=1S/C15H30N2O/c1-13(2)17(10-14-5-7-16-8-6-14)11-15-4-3-9-18-12-15/h13-16H,3-12H2,1-2H3
InChIKeyXYCRUYWIJUBRPB-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-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 163259274
N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide
CID 79720856
N-(oxepan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 163258033
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
2-methyl-N-(oxolan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 21034317
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
2-ethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 79716141
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 116522909
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 79713998

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79716147) is N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine is CC(C)N(CC1CCNCC1)CC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is XYCRUYWIJUBRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)17(10-14-5-7-16-8-6-14)11-15-4-3-9-18-12-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-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 N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79716147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).