N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine

C17H33N3O — CID 102997637

IUPACN'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)Cc1ccc(CNCC(C)C)o1
InChIInChI=1S/C17H33N3O/c1-6-20(11-7-10-19(4)5)14-17-9-8-16(21-17)13-18-12-15(2)3/h8-9,15,18H,6-7,10-14H2,1-5H3
InChIKeyYRTZDPRLCMNHKY-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.80
Rot. Bonds11

About N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine

N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine (PubChem CID 102997637) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine
PubChem CID102997637
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)Cc1ccc(CNCC(C)C)o1
InChIInChI=1S/C17H33N3O/c1-6-20(11-7-10-19(4)5)14-17-9-8-16(21-17)13-18-12-15(2)3/h8-9,15,18H,6-7,10-14H2,1-5H3
InChIKeyYRTZDPRLCMNHKY-UHFFFAOYSA-N
XLogP2.80
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine with MolForge

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Related Compounds

2-Furanmethanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10937
5-Methylfurtrethonium
CID 4141
N,N,N-Trimethyl-2-furanmethanaminium
CID 10938
2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide (1:1)
CID 70973
Propanedinitrile, (((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)ethyl)amino)(methylamino)methylene)-
CID 3077644
Propanedinitrile, ((methylamino)((2-(((5-(1-pyrrolidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-
CID 3077649
N-Methylfurfurylamine
CID 78492
1-[(5-Methyl-2-furanyl)methyl]pyrrolidine
CID 529066
N-Butyl-5-methyl-N-[(5-methyl-2-furanyl)methyl]-2-furanmethanamine
CID 4597757
N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5217129
Propanedinitrile, (((2-(((5-((bis(1-methylethyl)amino)methyl)-2-furanyl)methyl)amino)ethyl)amino)(methylamino)methylene)-
CID 3077648
3-Cyclobutene-1,2-dione, 3-(methylamino)-4-((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)-
CID 3077650

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine (CID 102997637) is N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine is CCN(CCCN(C)C)Cc1ccc(CNCC(C)C)o1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine?
The InChIKey is YRTZDPRLCMNHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-6-20(11-7-10-19(4)5)14-17-9-8-16(21-17)13-18-12-15(2)3/h8-9,15,18H,6-7,10-14H2,1-5H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine has a molecular weight of 295.47 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 102997637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).