2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine

C9H20N2O — CID 3057146

IUPAC2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCC(C)(N)CNCC1CCCO1
InChIInChI=1S/C9H20N2O/c1-9(2,10)7-11-6-8-4-3-5-12-8/h8,11H,3-7,10H2,1-2H3
InChIKeyQAGXIKTUAIFBTD-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.49
Rot. Bonds4

About 2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine

2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine (PubChem CID 3057146) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
PubChem CID3057146
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCC(C)(N)CNCC1CCCO1
InChIInChI=1S/C9H20N2O/c1-9(2,10)7-11-6-8-4-3-5-12-8/h8,11H,3-7,10H2,1-2H3
InChIKeyQAGXIKTUAIFBTD-UHFFFAOYSA-N
XLogP0.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine (CID 3057146) is 2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine is CC(C)(N)CNCC1CCCO1.
What is the InChIKey of 2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The InChIKey is QAGXIKTUAIFBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,10)7-11-6-8-4-3-5-12-8/h8,11H,3-7,10H2,1-2H3.
What are the key properties of 2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 3057146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).