N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine

C16H33N3O — CID 63742224

IUPACN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCCN1CCN(CC2(CNC(C)C)CCCOC2)CC1
InChIInChI=1S/C16H33N3O/c1-4-18-7-9-19(10-8-18)13-16(12-17-15(2)3)6-5-11-20-14-16/h15,17H,4-14H2,1-3H3
InChIKeyCEIOEYSZVTULRY-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.42
Rot. Bonds6

About N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine

N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine (PubChem CID 63742224) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine
PubChem CID63742224
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCCN1CCN(CC2(CNC(C)C)CCCOC2)CC1
InChIInChI=1S/C16H33N3O/c1-4-18-7-9-19(10-8-18)13-16(12-17-15(2)3)6-5-11-20-14-16/h15,17H,4-14H2,1-3H3
InChIKeyCEIOEYSZVTULRY-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740811
N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740115
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 63741871
N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740129
N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 79934366
N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740510
N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63003825
3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
CID 114682063
N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
CID 63741691
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55249798
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243400

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine (CID 63742224) is N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine is CCN1CCN(CC2(CNC(C)C)CCCOC2)CC1.
What is the InChIKey of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
The InChIKey is CEIOEYSZVTULRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-18-7-9-19(10-8-18)13-16(12-17-15(2)3)6-5-11-20-14-16/h15,17H,4-14H2,1-3H3.
What are the key properties of N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63742224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).