N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine

C16H32N2O — CID 103059033

IUPACN-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
SMILESCCCC1CCN(CC2COCCC2NCC)CC1
InChIInChI=1S/C16H32N2O/c1-3-5-14-6-9-18(10-7-14)12-15-13-19-11-8-16(15)17-4-2/h14-17H,3-13H2,1-2H3
InChIKeyVKJKEWYYPAYGPZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds6

About N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine

N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine (PubChem CID 103059033) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
PubChem CID103059033
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
SMILESCCCC1CCN(CC2COCCC2NCC)CC1
InChIInChI=1S/C16H32N2O/c1-3-5-14-6-9-18(10-7-14)12-15-13-19-11-8-16(15)17-4-2/h14-17H,3-13H2,1-2H3
InChIKeyVKJKEWYYPAYGPZ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine
CID 66255259
N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine
CID 103060481
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine
CID 103059767
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-ethyloxan-4-amine
CID 103060558
N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 107395161
1-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 66259329
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
N-ethyl-4-[(4-propylpiperazin-1-yl)methyl]oxolan-3-amine
CID 66259708
N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058323
N-ethyl-3-[(2-ethylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058730

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine (CID 103059033) is N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine is CCCC1CCN(CC2COCCC2NCC)CC1.
What is the InChIKey of N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine?
The InChIKey is VKJKEWYYPAYGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-14-6-9-18(10-7-14)12-15-13-19-11-8-16(15)17-4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine?
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103059033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).