2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine

C17H31N3O — CID 114540092

IUPAC2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccoc1CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C17H31N3O/c1-13(2)8-18-9-16-6-7-21-17(16)12-20-10-14(3)19(5)15(4)11-20/h6-7,13-15,18H,8-12H2,1-5H3
InChIKeyNCRYWYYVGKSJGQ-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.55
Rot. Bonds6

About 2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine

2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 114540092) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID114540092
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccoc1CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C17H31N3O/c1-13(2)8-18-9-16-6-7-21-17(16)12-20-10-14(3)19(5)15(4)11-20/h6-7,13-15,18H,8-12H2,1-5H3
InChIKeyNCRYWYYVGKSJGQ-UHFFFAOYSA-N
XLogP2.55
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 114540016
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62423949
N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63619462
N-[[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 103540003
N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 83221234
N-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62431404
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 114540153
2-methyl-N-[[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413247
N-[[3-[(2,5-dimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62431715
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 63620967
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (CID 114540092) is 2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is CC(C)CNCc1ccoc1CN1CC(C)N(C)C(C)C1.
What is the InChIKey of 2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is NCRYWYYVGKSJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)8-18-9-16-6-7-21-17(16)12-20-10-14(3)19(5)15(4)11-20/h6-7,13-15,18H,8-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114540092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).