N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine

C9H21ClN2O — CID 63387619

IUPACN'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCOCC(Cl)CN(C)CCN(C)C
InChIInChI=1S/C9H21ClN2O/c1-11(2)5-6-12(3)7-9(10)8-13-4/h9H,5-8H2,1-4H3
InChIKeySBNIRMKFNRBZGH-UHFFFAOYSA-N
MW208.73 g/mol
LogP0.73
Rot. Bonds7

About N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine

N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63387619) has the molecular formula C9H21ClN2O and a molecular weight of 208.73 g/mol. Its IUPAC name is N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63387619
Molecular FormulaC9H21ClN2O
Molecular Weight208.73 g/mol
Exact Mass208.13
IUPAC NameN'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCOCC(Cl)CN(C)CCN(C)C
InChIInChI=1S/C9H21ClN2O/c1-11(2)5-6-12(3)7-9(10)8-13-4/h9H,5-8H2,1-4H3
InChIKeySBNIRMKFNRBZGH-UHFFFAOYSA-N
XLogP0.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine (CID 63387619) is N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine is COCC(Cl)CN(C)CCN(C)C.
What is the InChIKey of N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is SBNIRMKFNRBZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClN2O/c1-11(2)5-6-12(3)7-9(10)8-13-4/h9H,5-8H2,1-4H3.
What are the key properties of N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 208.73 g/mol, XLogP of 0.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63387619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).