N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine

C13H30N2O — CID 146180743

IUPACN'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCOC(C)(C)CC(C)(C)N(C)CCN(C)C
InChIInChI=1S/C13H30N2O/c1-12(2,11-13(3,4)16-8)15(7)10-9-14(5)6/h9-11H2,1-8H3
InChIKeyGJQSKLRANWVPLY-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.07
Rot. Bonds7

About N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 146180743) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID146180743
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCOC(C)(C)CC(C)(C)N(C)CCN(C)C
InChIInChI=1S/C13H30N2O/c1-12(2,11-13(3,4)16-8)15(7)10-9-14(5)6/h9-11H2,1-8H3
InChIKeyGJQSKLRANWVPLY-UHFFFAOYSA-N
XLogP2.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 146180743) is N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine is COC(C)(C)CC(C)(C)N(C)CCN(C)C.
What is the InChIKey of N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is GJQSKLRANWVPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-12(2,11-13(3,4)16-8)15(7)10-9-14(5)6/h9-11H2,1-8H3.
What are the key properties of N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 146180743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).