N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

C13H28N2O2 — CID 55140508

IUPACN'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESCOCCCN(C)CCNC(C)C1CCCO1
InChIInChI=1S/C13H28N2O2/c1-12(13-6-4-11-17-13)14-7-9-15(2)8-5-10-16-3/h12-14H,4-11H2,1-3H3
InChIKeyRZWCGRSDBPMHRQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds9

About N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 55140508) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
PubChem CID55140508
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESCOCCCN(C)CCNC(C)C1CCCO1
InChIInChI=1S/C13H28N2O2/c1-12(13-6-4-11-17-13)14-7-9-15(2)8-5-10-16-3/h12-14H,4-11H2,1-3H3
InChIKeyRZWCGRSDBPMHRQ-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-Aminoethyl)(methyl)((oxolan-2-yl)methyl)amine
CID 43373754
N1,N1-Dimethyl-N2-((tetrahydrofuran-2-yl)methyl)ethane-1,2-diamine
CID 18524092
(2-Aminoethyl)[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]amine
CID 54594390
N-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961816
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087708
1-N-(oxolan-2-ylmethyl)-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087752
2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087799
N'-methyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089660
Tetrahydro-I+/--methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-furanmethanamine
CID 61490716
N'-ethyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553666
N'-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554330
N-(oxolan-2-ylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554490

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (CID 55140508) is N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is COCCCN(C)CCNC(C)C1CCCO1.
What is the InChIKey of N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is RZWCGRSDBPMHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(13-6-4-11-17-13)14-7-9-15(2)8-5-10-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxypropyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 55140508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).