N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine

C13H30N2O — CID 103033073

IUPACN'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOC(C)(C)CCNCC(C)(C)CN(C)C
InChIInChI=1S/C13H30N2O/c1-12(2,11-15(5)6)10-14-9-8-13(3,4)16-7/h14H,8-11H2,1-7H3
InChIKeyGJKVTGNAZIAALW-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds8

About N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine

N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 103033073) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID103033073
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOC(C)(C)CCNCC(C)(C)CN(C)C
InChIInChI=1S/C13H30N2O/c1-12(2,11-15(5)6)10-14-9-8-13(3,4)16-7/h14H,8-11H2,1-7H3
InChIKeyGJKVTGNAZIAALW-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine (CID 103033073) is N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine is COC(C)(C)CCNCC(C)(C)CN(C)C.
What is the InChIKey of N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is GJKVTGNAZIAALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-12(2,11-15(5)6)10-14-9-8-13(3,4)16-7/h14H,8-11H2,1-7H3.
What are the key properties of N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 103033073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).