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

C9H20N2O — CID 18524092

IUPACN',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCC1CCCO1
InChIInChI=1S/C9H20N2O/c1-11(2)6-5-10-8-9-4-3-7-12-9/h9-10H,3-8H2,1-2H3
InChIKeyDZWHKPBYGVOUGS-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds5

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

N',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 18524092) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID18524092
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCC1CCCO1
InChIInChI=1S/C9H20N2O/c1-11(2)6-5-10-8-9-4-3-7-12-9/h9-10H,3-8H2,1-2H3
InChIKeyDZWHKPBYGVOUGS-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 18524092) is N',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CN(C)CCNCC1CCCO1.
What is the InChIKey of N',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is DZWHKPBYGVOUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11(2)6-5-10-8-9-4-3-7-12-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 18524092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).