N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine

C17H37N3O — CID 102997663

IUPACN,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine
SMILESCCNCC1CCC(CN(CC)CCCN(CC)CC)O1
InChIInChI=1S/C17H37N3O/c1-5-18-14-16-10-11-17(21-16)15-20(8-4)13-9-12-19(6-2)7-3/h16-18H,5-15H2,1-4H3
InChIKeyPSKJYXNHJDKLHE-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.20
Rot. Bonds12

About N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine

N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine (PubChem CID 102997663) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine
PubChem CID102997663
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC NameN,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine
SMILESCCNCC1CCC(CN(CC)CCCN(CC)CC)O1
InChIInChI=1S/C17H37N3O/c1-5-18-14-16-10-11-17(21-16)15-20(8-4)13-9-12-19(6-2)7-3/h16-18H,5-15H2,1-4H3
InChIKeyPSKJYXNHJDKLHE-UHFFFAOYSA-N
XLogP2.20
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylbutan-1-amine
CID 79482402
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 102992625
N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006
N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62431296
N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline
CID 64584279
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81067383
N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine
CID 63939122
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665945
4-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methylcyclohexan-1-amine
CID 62412851
N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
CID 62436901
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62426631

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine (CID 102997663) is N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine is CCNCC1CCC(CN(CC)CCCN(CC)CC)O1.
What is the InChIKey of N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine?
The InChIKey is PSKJYXNHJDKLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-5-18-14-16-10-11-17(21-16)15-20(8-4)13-9-12-19(6-2)7-3/h16-18H,5-15H2,1-4H3.
What are the key properties of N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine?
N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine has a molecular weight of 299.50 g/mol, XLogP of 2.20, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 102997663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).