N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine

C11H26N2 — CID 89197540

IUPACN-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)NCCNC(C)(C)CC
InChIInChI=1S/C11H26N2/c1-6-10(3)12-8-9-13-11(4,5)7-2/h10,12-13H,6-9H2,1-5H3
InChIKeyBNEQZAUVNHMZDF-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.15
Rot. Bonds7

About N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine

N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 89197540) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID89197540
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)NCCNC(C)(C)CC
InChIInChI=1S/C11H26N2/c1-6-10(3)12-8-9-13-11(4,5)7-2/h10,12-13H,6-9H2,1-5H3
InChIKeyBNEQZAUVNHMZDF-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 89197540) is N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine is CCC(C)NCCNC(C)(C)CC.
What is the InChIKey of N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is BNEQZAUVNHMZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-10(3)12-8-9-13-11(4,5)7-2/h10,12-13H,6-9H2,1-5H3.
What are the key properties of N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 89197540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).