2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine

C10H22N2O — CID 115426953

IUPAC2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
SMILESCC(C)(CN)CNCC1CCCO1
InChIInChI=1S/C10H22N2O/c1-10(2,7-11)8-12-6-9-4-3-5-13-9/h9,12H,3-8,11H2,1-2H3
InChIKeyYUWDDPCARDUWKV-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.74
Rot. Bonds5

About 2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine

2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine (PubChem CID 115426953) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
PubChem CID115426953
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
SMILESCC(C)(CN)CNCC1CCCO1
InChIInChI=1S/C10H22N2O/c1-10(2,7-11)8-12-6-9-4-3-5-13-9/h9,12H,3-8,11H2,1-2H3
InChIKeyYUWDDPCARDUWKV-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine (CID 115426953) is 2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine is CC(C)(CN)CNCC1CCCO1.
What is the InChIKey of 2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is YUWDDPCARDUWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,7-11)8-12-6-9-4-3-5-13-9/h9,12H,3-8,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 115426953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).