3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine

C16H36N2O — CID 81019817

IUPAC3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCCC(C)N(CCOC)C(C)C(C)CNCC(C)C
InChIInChI=1S/C16H36N2O/c1-8-15(5)18(9-10-19-7)16(6)14(4)12-17-11-13(2)3/h13-17H,8-12H2,1-7H3
InChIKeyYNIUWDLJNXWTIW-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.00
Rot. Bonds11

About 3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine

3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine (PubChem CID 81019817) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine
PubChem CID81019817
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCCC(C)N(CCOC)C(C)C(C)CNCC(C)C
InChIInChI=1S/C16H36N2O/c1-8-15(5)18(9-10-19-7)16(6)14(4)12-17-11-13(2)3/h13-17H,8-12H2,1-7H3
InChIKeyYNIUWDLJNXWTIW-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine with MolForge

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Related Compounds

1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine
CID 81019237
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
2-N-butan-2-yl-1-N-ethyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
CID 55072484
3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
CID 79409379
2-N-(2-methoxyethyl)-1-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 55074311
2-N-butan-2-yl-1-N-butyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 55087275
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62569622
2-N-butan-2-yl-2-N-(2-methoxyethyl)-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62462781
3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 62437184
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-pentylpropane-1,2-diamine
CID 62570007
3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide
CID 79408378

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine?
The IUPAC name of 3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine (CID 81019817) is 3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine is CCC(C)N(CCOC)C(C)C(C)CNCC(C)C.
What is the InChIKey of 3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine?
The InChIKey is YNIUWDLJNXWTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-8-15(5)18(9-10-19-7)16(6)14(4)12-17-11-13(2)3/h13-17H,8-12H2,1-7H3.
What are the key properties of 3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine?
3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine is sourced from PubChem (CID 81019817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).