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

C9H20N2O — CID 82753910

IUPAC1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine
SMILESCNCC(C)N(C)C1CCOC1
InChIInChI=1S/C9H20N2O/c1-8(6-10-2)11(3)9-4-5-12-7-9/h8-10H,4-7H2,1-3H3
InChIKeyOHOBVUWSVSBNFT-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.31
Rot. Bonds4

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

1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine (PubChem CID 82753910) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine
PubChem CID82753910
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine
SMILESCNCC(C)N(C)C1CCOC1
InChIInChI=1S/C9H20N2O/c1-8(6-10-2)11(3)9-4-5-12-7-9/h8-10H,4-7H2,1-3H3
InChIKeyOHOBVUWSVSBNFT-UHFFFAOYSA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82754795
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681
2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290
2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 82753840
3-N-methyl-3-N-(oxolan-3-yl)butane-1,3-diamine
CID 63556588
4-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748967
2-N-cyclopropyl-2-N-methyl-1-N-(oxolan-3-yl)propane-1,2-diamine
CID 115689098
1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine
CID 79409675
3-[methyl(oxolan-3-yl)amino]butanethioamide
CID 63557973
3-N,2-dimethyl-3-N-(oxolan-3-yl)-1-N-propylbutane-1,3-diamine
CID 82754797
1-ethyl-2-methyl-1-[(3S)-oxolan-3-yl]hydrazine
CID 167271986
2-[methyl(oxan-3-yl)amino]propan-1-ol
CID 103857883

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine (CID 82753910) is 1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine is CNCC(C)N(C)C1CCOC1.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine?
The InChIKey is OHOBVUWSVSBNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(6-10-2)11(3)9-4-5-12-7-9/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine?
1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 82753910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).