2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine

C12H28N2O — CID 106114726

IUPAC2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine
SMILESCOC(CN)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-11(2,3)9-12(4,5)14-8-10(7-13)15-6/h10,14H,7-9,13H2,1-6H3
InChIKeyRDKIZONOSRAABC-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.76
Rot. Bonds6

About 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine

2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine (PubChem CID 106114726) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine
PubChem CID106114726
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine
SMILESCOC(CN)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-11(2,3)9-12(4,5)14-8-10(7-13)15-6/h10,14H,7-9,13H2,1-6H3
InChIKeyRDKIZONOSRAABC-UHFFFAOYSA-N
XLogP1.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine
CID 106114896
2-methoxy-N'-methylpropane-1,3-diamine
CID 20763150
2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine
CID 106115133
N-(2-bromoethyl)-2,4,4-trimethylpentan-2-amine
CID 91622619
2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine
CID 106115064
2,5-dimethoxyhexane-1,6-diamine
CID 141495487
N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
CID 79257058
2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine
CID 43731065
1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 63900457
N-(4-methoxybutyl)-2,4,4-trimethylpentan-2-amine
CID 115634032
ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate
CID 103246903
4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 142398734

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine?
The IUPAC name of 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine (CID 106114726) is 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine is COC(CN)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine?
The InChIKey is RDKIZONOSRAABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2,3)9-12(4,5)14-8-10(7-13)15-6/h10,14H,7-9,13H2,1-6H3.
What are the key properties of 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine?
2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 106114726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).