ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine

C13H30N2O — CID 143504815

IUPACethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine
SMILESC=C(C)NCCC(C)N(C)CCOC.CC
InChIInChI=1S/C11H24N2O.C2H6/c1-10(2)12-7-6-11(3)13(4)8-9-14-5;1-2/h11-12H,1,6-9H2,2-5H3;1-2H3
InChIKeyVMEFHFIBMBCJOA-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.49
Rot. Bonds8

About ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine

ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine (PubChem CID 143504815) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Nameethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine
PubChem CID143504815
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Nameethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine
SMILESC=C(C)NCCC(C)N(C)CCOC.CC
InChIInChI=1S/C11H24N2O.C2H6/c1-10(2)12-7-6-11(3)13(4)8-9-14-5;1-2/h11-12H,1,6-9H2,2-5H3;1-2H3
InChIKeyVMEFHFIBMBCJOA-UHFFFAOYSA-N
XLogP2.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62447083
3-N-(2-methoxyethyl)-3-N-methyl-1-N-propylbutane-1,3-diamine
CID 62447850
2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine
CID 88931739
3-methoxy-N-prop-1-en-2-ylbutan-2-amine
CID 126747439
N-prop-1-en-2-yl-2-propoxybutan-1-amine
CID 142294825
4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane
CID 143826307
1-methoxy-N-prop-1-en-2-ylpropan-2-amine
CID 143916620
ethane;3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 143976450
3-morpholin-4-yl-N-prop-1-en-2-ylpropan-1-amine
CID 144154665
(Z)-1-N-[1-(oxetan-3-yl)piperidin-4-yl]prop-1-ene-1,2-diamine
CID 155330051
N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylprop-1-en-2-amine
CID 155455455
N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine
CID 155751057

Frequently Asked Questions

What is the IUPAC name of ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine?
The IUPAC name of ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine (CID 143504815) is ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine.
What is the SMILES notation for ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine?
The canonical SMILES for ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine is C=C(C)NCCC(C)N(C)CCOC.CC.
What is the InChIKey of ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine?
The InChIKey is VMEFHFIBMBCJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.C2H6/c1-10(2)12-7-6-11(3)13(4)8-9-14-5;1-2/h11-12H,1,6-9H2,2-5H3;1-2H3.
What are the key properties of ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine?
ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine is sourced from PubChem (CID 143504815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).