2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine

C10H22N2O — CID 54335401

IUPAC2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine
SMILESCC(CN)NCC1COC(C)(C)C1
InChIInChI=1S/C10H22N2O/c1-8(5-11)12-6-9-4-10(2,3)13-7-9/h8-9,12H,4-7,11H2,1-3H3
InChIKeyTVCRTADPFLFVBP-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.74
Rot. Bonds4

About 2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine

2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine (PubChem CID 54335401) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine
PubChem CID54335401
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine
SMILESCC(CN)NCC1COC(C)(C)C1
InChIInChI=1S/C10H22N2O/c1-8(5-11)12-6-9-4-10(2,3)13-7-9/h8-9,12H,4-7,11H2,1-3H3
InChIKeyTVCRTADPFLFVBP-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine (CID 54335401) is 2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine is CC(CN)NCC1COC(C)(C)C1.
What is the InChIKey of 2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine?
The InChIKey is TVCRTADPFLFVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(5-11)12-6-9-4-10(2,3)13-7-9/h8-9,12H,4-7,11H2,1-3H3.
What are the key properties of 2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine?
2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 54335401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).