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

C16H29N3O — CID 63620979

IUPACN-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCCC1CN(Cc2ccoc2CNC(C)C)CCN1C
InChIInChI=1S/C16H29N3O/c1-5-15-12-19(8-7-18(15)4)11-14-6-9-20-16(14)10-17-13(2)3/h6,9,13,15,17H,5,7-8,10-12H2,1-4H3
InChIKeyHHGCIECONXGVCY-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.30
Rot. Bonds6

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

N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 63620979) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID63620979
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCCC1CN(Cc2ccoc2CNC(C)C)CCN1C
InChIInChI=1S/C16H29N3O/c1-5-15-12-19(8-7-18(15)4)11-14-6-9-20-16(14)10-17-13(2)3/h6,9,13,15,17H,5,7-8,10-12H2,1-4H3
InChIKeyHHGCIECONXGVCY-UHFFFAOYSA-N
XLogP2.30
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63619462
N-[[3-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423440
N-[[3-[(2-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62434453
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423418
N-[[3-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437907
N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437647
N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62439241
N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine
CID 81469166
N-[[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 102728475
N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62438395
N-[[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 102968022
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556838

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (CID 63620979) is N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is CCC1CN(Cc2ccoc2CNC(C)C)CCN1C.
What is the InChIKey of N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is HHGCIECONXGVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-15-12-19(8-7-18(15)4)11-14-6-9-20-16(14)10-17-13(2)3/h6,9,13,15,17H,5,7-8,10-12H2,1-4H3.
What are the key properties of N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.30, 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]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63620979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).