3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine

C14H32N2 — CID 79414820

IUPAC3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine
SMILESCCCCN(C(C)CC)C(C)C(C)CNC
InChIInChI=1S/C14H32N2/c1-7-9-10-16(13(4)8-2)14(5)12(3)11-15-6/h12-15H,7-11H2,1-6H3
InChIKeyIRMDZOAEOJEQCO-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds9

About 3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine

3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine (PubChem CID 79414820) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine
PubChem CID79414820
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine
SMILESCCCCN(C(C)CC)C(C)C(C)CNC
InChIInChI=1S/C14H32N2/c1-7-9-10-16(13(4)8-2)14(5)12(3)11-15-6/h12-15H,7-11H2,1-6H3
InChIKeyIRMDZOAEOJEQCO-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine (CID 79414820) is 3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine is CCCCN(C(C)CC)C(C)C(C)CNC.
What is the InChIKey of 3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine?
The InChIKey is IRMDZOAEOJEQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-9-10-16(13(4)8-2)14(5)12(3)11-15-6/h12-15H,7-11H2,1-6H3.
What are the key properties of 3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine?
3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-3-N-butyl-1-N,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 79414820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).