N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C17H41N3O — CID 159493981

IUPACN-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C)CCN(C)C.COCCN(C)CC(C)C
InChIInChI=1S/C9H22N2.C8H19NO/c1-9(2)8-11(5)7-6-10(3)4;1-8(2)7-9(3)5-6-10-4/h9H,6-8H2,1-5H3;8H,5-7H2,1-4H3
InChIKeyLYNXCWVGMUSXEB-UHFFFAOYSA-N
MW303.54 g/mol
LogP2.36
Rot. Bonds10

About N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 159493981) has the molecular formula C17H41N3O and a molecular weight of 303.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID159493981
Molecular FormulaC17H41N3O
Molecular Weight303.54 g/mol
Exact Mass303.32
IUPAC NameN-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C)CCN(C)C.COCCN(C)CC(C)C
InChIInChI=1S/C9H22N2.C8H19NO/c1-9(2)8-11(5)7-6-10(3)4;1-8(2)7-9(3)5-6-10-4/h9H,6-8H2,1-5H3;8H,5-7H2,1-4H3
InChIKeyLYNXCWVGMUSXEB-UHFFFAOYSA-N
XLogP2.36
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

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Related Compounds

US10214537, Example 170
CID 21026333
2-[Dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium
CID 58581236
Bis(2-diethylaminoethyl)-2-methoxyethylamine
CID 129657689
N-[2-[2-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine
CID 14298548
2-[2-(Diethylamino)ethoxy]ethyl-[2-(diethylamino)ethyl]-diethylazanium
CID 18347182
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 23377125
1-(2-Ethoxyethyl)-4-(2-methylpropyl)piperazine
CID 53532034
2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 54515766
Tripropyl-[2-[2-(tripropylazaniumyl)ethoxy]ethyl]azanium
CID 57187322
N'-[2-(diethylamino)ethyl]-N'-(1-ethoxypropan-2-yl)-N,N-diethylethane-1,2-diamine
CID 58883059
1-(2-Methoxyethyl)-4-(2-methylpropyl)piperazine
CID 59817866
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 60296429

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 159493981) is N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(C)CCN(C)C.COCCN(C)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is LYNXCWVGMUSXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2.C8H19NO/c1-9(2)8-11(5)7-6-10(3)4;1-8(2)7-9(3)5-6-10-4/h9H,6-8H2,1-5H3;8H,5-7H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 303.54 g/mol, XLogP of 2.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,2-dimethylpropan-1-amine;N,N,N'-trimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 159493981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).