N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine

C12H24N2O — CID 82734841

IUPACN-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
SMILESCC1OCCC1N(C)CCCNC1CC1
InChIInChI=1S/C12H24N2O/c1-10-12(6-9-15-10)14(2)8-3-7-13-11-4-5-11/h10-13H,3-9H2,1-2H3
InChIKeyWVASSSASIRIHTD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds6

About N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine

N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine (PubChem CID 82734841) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
PubChem CID82734841
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
SMILESCC1OCCC1N(C)CCCNC1CC1
InChIInChI=1S/C12H24N2O/c1-10-12(6-9-15-10)14(2)8-3-7-13-11-4-5-11/h10-13H,3-9H2,1-2H3
InChIKeyWVASSSASIRIHTD-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
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-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine (CID 82734841) is N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine is CC1OCCC1N(C)CCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The InChIKey is WVASSSASIRIHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-12(6-9-15-10)14(2)8-3-7-13-11-4-5-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 82734841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).