2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine

C15H35N3O — CID 166688891

IUPAC2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine
SMILESCNC(CN)C(C)NCCC(C)(C)OCCC(C)C
InChIInChI=1S/C15H35N3O/c1-12(2)7-10-19-15(4,5)8-9-18-13(3)14(11-16)17-6/h12-14,17-18H,7-11,16H2,1-6H3
InChIKeyAVCBIAKXEWJJKW-UHFFFAOYSA-N
MW273.46 g/mol
LogP1.74
Rot. Bonds11

About 2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine

2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine (PubChem CID 166688891) has the molecular formula C15H35N3O and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine.

Molecular Properties

Compound Name2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine
PubChem CID166688891
Molecular FormulaC15H35N3O
Molecular Weight273.46 g/mol
Exact Mass273.28
IUPAC Name2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine
SMILESCNC(CN)C(C)NCCC(C)(C)OCCC(C)C
InChIInChI=1S/C15H35N3O/c1-12(2)7-10-19-15(4,5)8-9-18-13(3)14(11-16)17-6/h12-14,17-18H,7-11,16H2,1-6H3
InChIKeyAVCBIAKXEWJJKW-UHFFFAOYSA-N
XLogP1.74
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine?
The IUPAC name of 2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine (CID 166688891) is 2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine.
What is the SMILES notation for 2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine?
The canonical SMILES for 2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine is CNC(CN)C(C)NCCC(C)(C)OCCC(C)C.
What is the InChIKey of 2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine?
The InChIKey is AVCBIAKXEWJJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3O/c1-12(2)7-10-19-15(4,5)8-9-18-13(3)14(11-16)17-6/h12-14,17-18H,7-11,16H2,1-6H3.
What are the key properties of 2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine?
2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine has a molecular weight of 273.46 g/mol, XLogP of 1.74, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine is sourced from PubChem (CID 166688891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).