4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine

C10H24N2O — CID 106675657

IUPAC4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NC(C)C
InChIInChI=1S/C10H24N2O/c1-8(2)12-9(7-11)6-10(3,4)13-5/h8-9,12H,6-7,11H2,1-5H3
InChIKeyKRQUCYKVGXUJIM-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.13
Rot. Bonds6

About 4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine

4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine (PubChem CID 106675657) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine
PubChem CID106675657
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NC(C)C
InChIInChI=1S/C10H24N2O/c1-8(2)12-9(7-11)6-10(3,4)13-5/h8-9,12H,6-7,11H2,1-5H3
InChIKeyKRQUCYKVGXUJIM-UHFFFAOYSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine?
The IUPAC name of 4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine (CID 106675657) is 4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine?
The canonical SMILES for 4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine is COC(C)(C)CC(CN)NC(C)C.
What is the InChIKey of 4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine?
The InChIKey is KRQUCYKVGXUJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-8(2)12-9(7-11)6-10(3,4)13-5/h8-9,12H,6-7,11H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine?
4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-N-propan-2-ylpentane-1,2-diamine is sourced from PubChem (CID 106675657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).