N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine

C10H25N3O — CID 143093811

IUPACN-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine
SMILESCCN(CC)CC(CNCCN)OC
InChIInChI=1S/C10H25N3O/c1-4-13(5-2)9-10(14-3)8-12-7-6-11/h10,12H,4-9,11H2,1-3H3
InChIKeyYCDLHTOMOOCNLE-UHFFFAOYSA-N
MW203.33 g/mol
LogP-0.11
Rot. Bonds9

About N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine

N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine (PubChem CID 143093811) has the molecular formula C10H25N3O and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine
PubChem CID143093811
Molecular FormulaC10H25N3O
Molecular Weight203.33 g/mol
Exact Mass203.20
IUPAC NameN-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine
SMILESCCN(CC)CC(CNCCN)OC
InChIInChI=1S/C10H25N3O/c1-4-13(5-2)9-10(14-3)8-12-7-6-11/h10,12H,4-9,11H2,1-3H3
InChIKeyYCDLHTOMOOCNLE-UHFFFAOYSA-N
XLogP-0.11
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethylbutyl)ethane-1,2-diamine
CID 59135539
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine
CID 87350577
2-methoxy-N-propylbutan-1-amine
CID 62446369
N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine
CID 107815808
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
2-methoxy-N-(2-methoxybutyl)butan-1-amine
CID 87913992
N,N-diethyl-2,2-dimethoxyethanamine
CID 21281611
1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19893086
2-(2-aminoethylamino)-1-ethoxyethanol
CID 57110947
1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045494
methyl 2-bromo-3-[3-(diethylamino)propylamino]propanoate
CID 103234576
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine?
The IUPAC name of N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine (CID 143093811) is N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine.
What is the SMILES notation for N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine?
The canonical SMILES for N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine is CCN(CC)CC(CNCCN)OC.
What is the InChIKey of N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine?
The InChIKey is YCDLHTOMOOCNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O/c1-4-13(5-2)9-10(14-3)8-12-7-6-11/h10,12H,4-9,11H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine?
N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine has a molecular weight of 203.33 g/mol, XLogP of -0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N',N'-diethyl-2-methoxypropane-1,3-diamine is sourced from PubChem (CID 143093811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).