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

C10H22N2O — CID 82938684

IUPAC1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCC(CN(C)C)NCC1CCCO1
InChIInChI=1S/C10H22N2O/c1-9(8-12(2)3)11-7-10-5-4-6-13-10/h9-11H,4-8H2,1-3H3
InChIKeyDKCTYWCGGBVBDQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds5

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

1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine (PubChem CID 82938684) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
PubChem CID82938684
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCC(CN(C)C)NCC1CCCO1
InChIInChI=1S/C10H22N2O/c1-9(8-12(2)3)11-7-10-5-4-6-13-10/h9-11H,4-8H2,1-3H3
InChIKeyDKCTYWCGGBVBDQ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine (CID 82938684) is 1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine is CC(CN(C)C)NCC1CCCO1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The InChIKey is DKCTYWCGGBVBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(8-12(2)3)11-7-10-5-4-6-13-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 82938684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).