ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine

C16H36N2O — CID 163266645

IUPACethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCC.CC.CCN1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C12H24N2O.2C2H6/c1-2-14-7-5-11(6-8-14)13-10-12-4-3-9-15-12;2*1-2/h11-13H,2-10H2,1H3;2*1-2H3
InChIKeyKAYJGUKXYYJOQV-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.29
Rot. Bonds4

About ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine

ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine (PubChem CID 163266645) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Nameethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
PubChem CID163266645
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Nameethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCC.CC.CCN1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C12H24N2O.2C2H6/c1-2-14-7-5-11(6-8-14)13-10-12-4-3-9-15-12;2*1-2/h11-13H,2-10H2,1H3;2*1-2H3
InChIKeyKAYJGUKXYYJOQV-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
1-(Tetrahydro-2-furylmethyl)piperazine
CID 2737265
1-[(Oxolan-2-yl)methyl]piperidin-4-amine
CID 16774673
1-(hexahydro-1H-pyrrolo(2,1-c)(1,4)oxazin-3-yl)methanamine
CID 47002529
N-(oxolan-2-ylmethyl)-1-propylpiperidin-4-amine
CID 2846723
(3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine
CID 129196229
N-(piperidin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)ethanamine
CID 56828683
N-methyl-N-(tetrahydrofuran-2-ylmethyl)piperidin-4-amine
CID 25219599
((3S,8aR)-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)methanamine
CID 39235443
1-(2,2-difluoro-5-propan-2-yloxypentyl)-N-propan-2-ylpiperidin-4-amine
CID 169586099
(2S)-2-[2-[(2S,4S)-4-fluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidin-1-yl]ethyl]-1-propan-2-ylpiperazine
CID 169907033
N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43765487

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine (CID 163266645) is ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine is CC.CC.CCN1CCC(NCC2CCCO2)CC1.
What is the InChIKey of ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The InChIKey is KAYJGUKXYYJOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.2C2H6/c1-2-14-7-5-11(6-8-14)13-10-12-4-3-9-15-12;2*1-2/h11-13H,2-10H2,1H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine has a molecular weight of 272.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 163266645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).