2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

C14H32N2O — CID 102697261

IUPAC2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCOC(C)CNC(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C14H32N2O/c1-11(2)7-14(10-15,8-12(3)4)16-9-13(5)17-6/h11-13,16H,7-10,15H2,1-6H3
InChIKeyNKGYNPLMJTZNQC-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.40
Rot. Bonds9

About 2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 102697261) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
PubChem CID102697261
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCOC(C)CNC(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C14H32N2O/c1-11(2)7-14(10-15,8-12(3)4)16-9-13(5)17-6/h11-13,16H,7-10,15H2,1-6H3
InChIKeyNKGYNPLMJTZNQC-UHFFFAOYSA-N
XLogP2.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (CID 102697261) is 2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is COC(C)CNC(CN)(CC(C)C)CC(C)C.
What is the InChIKey of 2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is NKGYNPLMJTZNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-11(2)7-14(10-15,8-12(3)4)16-9-13(5)17-6/h11-13,16H,7-10,15H2,1-6H3.
What are the key properties of 2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 102697261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).