N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

C19H43N3 — CID 58807531

IUPACN,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)CC(C)N(C)CCN(C)CCN(C)C(C)CC(C)C
InChIInChI=1S/C19H43N3/c1-16(2)14-18(5)21(8)12-10-20(7)11-13-22(9)19(6)15-17(3)4/h16-19H,10-15H2,1-9H3
InChIKeyZVJVSGSWEVBYSB-UHFFFAOYSA-N
MW313.57 g/mol
LogP3.65
Rot. Bonds12

About N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (PubChem CID 58807531) has the molecular formula C19H43N3 and a molecular weight of 313.57 g/mol. Its IUPAC name is N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
PubChem CID58807531
Molecular FormulaC19H43N3
Molecular Weight313.57 g/mol
Exact Mass313.35
IUPAC NameN,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)CC(C)N(C)CCN(C)CCN(C)C(C)CC(C)C
InChIInChI=1S/C19H43N3/c1-16(2)14-18(5)21(8)12-10-20(7)11-13-22(9)19(6)15-17(3)4/h16-19H,10-15H2,1-9H3
InChIKeyZVJVSGSWEVBYSB-UHFFFAOYSA-N
XLogP3.65
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (CID 58807531) is N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is CC(C)CC(C)N(C)CCN(C)CCN(C)C(C)CC(C)C.
What is the InChIKey of N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is ZVJVSGSWEVBYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3/c1-16(2)14-18(5)21(8)12-10-20(7)11-13-22(9)19(6)15-17(3)4/h16-19H,10-15H2,1-9H3.
What are the key properties of N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 313.57 g/mol, XLogP of 3.65, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 58807531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).