N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine

C16H30N2O — CID 62260916

IUPACN,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
SMILESCCNCC(CC)(CC)CN(C)Cc1ccoc1C
InChIInChI=1S/C16H30N2O/c1-6-16(7-2,12-17-8-3)13-18(5)11-15-9-10-19-14(15)4/h9-10,17H,6-8,11-13H2,1-5H3
InChIKeyUTQXSKXIUDYNQN-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.44
Rot. Bonds9

About N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine

N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine (PubChem CID 62260916) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
PubChem CID62260916
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
SMILESCCNCC(CC)(CC)CN(C)Cc1ccoc1C
InChIInChI=1S/C16H30N2O/c1-6-16(7-2,12-17-8-3)13-18(5)11-15-9-10-19-14(15)4/h9-10,17H,6-8,11-13H2,1-5H3
InChIKeyUTQXSKXIUDYNQN-UHFFFAOYSA-N
XLogP3.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494502
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol
CID 115919434
2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol
CID 114495435
2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62258855
2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal
CID 62275710
N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80727596
2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
CID 80996990
1-N-ethyl-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]pentane-1,4-diamine
CID 62411483
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
CID 81170245
N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62412884
2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine
CID 61424071

Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine (CID 62260916) is N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine is CCNCC(CC)(CC)CN(C)Cc1ccoc1C.
What is the InChIKey of N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
The InChIKey is UTQXSKXIUDYNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-16(7-2,12-17-8-3)13-18(5)11-15-9-10-19-14(15)4/h9-10,17H,6-8,11-13H2,1-5H3.
What are the key properties of N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62260916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).