N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine

C16H33N3O — CID 63741781

IUPACN-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(C)C(CC)C2)CCCOC1
InChIInChI=1S/C16H33N3O/c1-4-15-11-19(9-8-18(15)3)13-16(12-17-5-2)7-6-10-20-14-16/h15,17H,4-14H2,1-3H3
InChIKeyKZIWTFYQRNMJBV-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.42
Rot. Bonds6

About N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine

N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine (PubChem CID 63741781) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
PubChem CID63741781
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(C)C(CC)C2)CCCOC1
InChIInChI=1S/C16H33N3O/c1-4-15-11-19(9-8-18(15)3)13-16(12-17-5-2)7-6-10-20-14-16/h15,17H,4-14H2,1-3H3
InChIKeyKZIWTFYQRNMJBV-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-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 63741871
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63740455
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63741015
N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine
CID 104960751
N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 63741073
N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63619386
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740707
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740705
N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 63159734
N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
CID 63741691
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 63742224
N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740129

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine (CID 63741781) is N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine is CCNCC1(CN2CCN(C)C(CC)C2)CCCOC1.
What is the InChIKey of N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
The InChIKey is KZIWTFYQRNMJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-15-11-19(9-8-18(15)3)13-16(12-17-5-2)7-6-10-20-14-16/h15,17H,4-14H2,1-3H3.
What are the key properties of N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine 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-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63741781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).