N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine

C13H28N2O — CID 65163903

IUPACN'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCCCC1CCCO1
InChIInChI=1S/C13H28N2O/c1-12(2)15(3)10-9-14-8-4-6-13-7-5-11-16-13/h12-14H,4-11H2,1-3H3
InChIKeyXQOLFOAQHQTLFJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds8

About N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine

N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 65163903) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID65163903
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCCCC1CCCO1
InChIInChI=1S/C13H28N2O/c1-12(2)15(3)10-9-14-8-4-6-13-7-5-11-16-13/h12-14H,4-11H2,1-3H3
InChIKeyXQOLFOAQHQTLFJ-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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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Related Compounds

5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 107272097
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62555468
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine
CID 65163921
N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
CID 104668632
N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 103083062
6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 107845985
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 104668685
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine (CID 65163903) is N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNCCCC1CCCO1.
What is the InChIKey of N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is XQOLFOAQHQTLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)15(3)10-9-14-8-4-6-13-7-5-11-16-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 65163903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).