N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C13H29N3O — CID 103061096

IUPACN'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1COCCC1N
InChIInChI=1S/C13H29N3O/c1-4-16(8-5-7-15(2)3)10-12-11-17-9-6-13(12)14/h12-13H,4-11,14H2,1-3H3
InChIKeySEXNTZKAFUTJEY-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.62
Rot. Bonds7

About N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 103061096) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID103061096
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1COCCC1N
InChIInChI=1S/C13H29N3O/c1-4-16(8-5-7-15(2)3)10-12-11-17-9-6-13(12)14/h12-13H,4-11,14H2,1-3H3
InChIKeySEXNTZKAFUTJEY-UHFFFAOYSA-N
XLogP0.62
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylaminomethyl)oxan-4-amine
CID 83619174
N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994345
3-N-ethyl-3-N-methyloxane-3,4-diamine
CID 43608817
N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 102992372
3-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-amine
CID 103060776
3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine
CID 63694328
4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol
CID 103060860
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 102992625
2-[(4-aminooxan-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486880
2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
CID 62615538
3-N-butyl-3-N-ethyloxane-3,4-diamine
CID 43608807
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine
CID 106469054

Frequently Asked Questions

What is the IUPAC name of N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 103061096) is N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)CC1COCCC1N.
What is the InChIKey of N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is SEXNTZKAFUTJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-16(8-5-7-15(2)3)10-12-11-17-9-6-13(12)14/h12-13H,4-11,14H2,1-3H3.
What are the key properties of N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 103061096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).