N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine

C9H22N2O — CID 60888357

IUPACN'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCOC(C)(C)CC(C)NCCN
InChIInChI=1S/C9H22N2O/c1-8(11-6-5-10)7-9(2,3)12-4/h8,11H,5-7,10H2,1-4H3
InChIKeyJZJAYUUTQLVVBB-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.74
Rot. Bonds6

About N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine

N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine (PubChem CID 60888357) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine
PubChem CID60888357
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCOC(C)(C)CC(C)NCCN
InChIInChI=1S/C9H22N2O/c1-8(11-6-5-10)7-9(2,3)12-4/h8,11H,5-7,10H2,1-4H3
InChIKeyJZJAYUUTQLVVBB-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine (CID 60888357) is N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine is COC(C)(C)CC(C)NCCN.
What is the InChIKey of N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is JZJAYUUTQLVVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-8(11-6-5-10)7-9(2,3)12-4/h8,11H,5-7,10H2,1-4H3.
What are the key properties of N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine?
N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-4-methylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 60888357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).