N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine

C12H26N2O — CID 61436351

IUPACN-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCCNCCCN(C)CC1CCCCO1
InChIInChI=1S/C12H26N2O/c1-3-13-8-6-9-14(2)11-12-7-4-5-10-15-12/h12-13H,3-11H2,1-2H3
InChIKeyOIQZCTJNIKDUAI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

About N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine

N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (PubChem CID 61436351) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
PubChem CID61436351
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
SMILESCCNCCCN(C)CC1CCCCO1
InChIInChI=1S/C12H26N2O/c1-3-13-8-6-9-14(2)11-12-7-4-5-10-15-12/h12-13H,3-11H2,1-2H3
InChIKeyOIQZCTJNIKDUAI-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine (CID 61436351) is N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine is CCNCCCN(C)CC1CCCCO1.
What is the InChIKey of N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is OIQZCTJNIKDUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-13-8-6-9-14(2)11-12-7-4-5-10-15-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine?
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 61436351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).