1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine

C13H30N2O2 — CID 62040984

IUPAC1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CC)CN(CCOC)CCOC
InChIInChI=1S/C13H30N2O2/c1-5-7-14-13(6-2)12-15(8-10-16-3)9-11-17-4/h13-14H,5-12H2,1-4H3
InChIKeyIUVKJUFBMYJOOP-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.36
Rot. Bonds12

About 1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine

1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine (PubChem CID 62040984) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine
PubChem CID62040984
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine
SMILESCCCNC(CC)CN(CCOC)CCOC
InChIInChI=1S/C13H30N2O2/c1-5-7-14-13(6-2)12-15(8-10-16-3)9-11-17-4/h13-14H,5-12H2,1-4H3
InChIKeyIUVKJUFBMYJOOP-UHFFFAOYSA-N
XLogP1.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2-ethoxyethyl)-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 63696660
1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505330
2-N-ethyl-1-N,1-N-bis(2-methoxyethyl)pentane-1,2-diamine
CID 62043594
1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methylbutane-1,2-diamine
CID 62038439
3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol
CID 64825577
1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505592
1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
1-methoxy-N-propylhexan-3-amine
CID 61412304
N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 61418838
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-(propylamino)propan-2-ol
CID 54985437
1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine
CID 62040138
1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
CID 55095563

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine (CID 62040984) is 1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine is CCCNC(CC)CN(CCOC)CCOC.
What is the InChIKey of 1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine?
The InChIKey is IUVKJUFBMYJOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-7-14-13(6-2)12-15(8-10-16-3)9-11-17-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine?
1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.36, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62040984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).