N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine

C15H27N3O — CID 63620967

IUPACN-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1CN1CCN(CC)C(C)C1
InChIInChI=1S/C15H27N3O/c1-4-16-10-14-6-9-19-15(14)12-17-7-8-18(5-2)13(3)11-17/h6,9,13,16H,4-5,7-8,10-12H2,1-3H3
InChIKeyKGRNCVAAMQFARD-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.92
Rot. Bonds6

About N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine

N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 63620967) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
PubChem CID63620967
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1CN1CCN(CC)C(C)C1
InChIInChI=1S/C15H27N3O/c1-4-16-10-14-6-9-19-15(14)12-17-7-8-18(5-2)13(3)11-17/h6,9,13,16H,4-5,7-8,10-12H2,1-3H3
InChIKeyKGRNCVAAMQFARD-UHFFFAOYSA-N
XLogP1.92
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 63619960
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-yl]methyl]ethanamine
CID 64582188
N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine
CID 62424247
N-[[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-3-yl]methyl]ethanamine
CID 102728468
N-[[2-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62419893
N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102886933
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63619462
N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 114540016
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63620144
N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62439019
N-[[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 55072759

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine (CID 63620967) is N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine is CCNCc1ccoc1CN1CCN(CC)C(C)C1.
What is the InChIKey of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is KGRNCVAAMQFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-16-10-14-6-9-19-15(14)12-17-7-8-18(5-2)13(3)11-17/h6,9,13,16H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63620967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).