N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine

C11H27N3 — CID 114525574

IUPACN,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN(C)C)CCNC
InChIInChI=1S/C11H27N3/c1-5-8-14(11-7-12-2)10-6-9-13(3)4/h12H,5-11H2,1-4H3
InChIKeyYFXXYOPMTHPMFP-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.87
Rot. Bonds9

About N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine

N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine (PubChem CID 114525574) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine
PubChem CID114525574
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN(C)C)CCNC
InChIInChI=1S/C11H27N3/c1-5-8-14(11-7-12-2)10-6-9-13(3)4/h12H,5-11H2,1-4H3
InChIKeyYFXXYOPMTHPMFP-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
N'-butyl-N'-methylpropane-1,3-diamine;N,N-dimethyloctan-1-amine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine
CID 167573929
N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 58312291
N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine
CID 139553651
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N-[3-(dimethylamino)propyl]-N'-methyl-3-methylidene-N-(10-methylideneoctadecyl)pentane-1,5-diamine
CID 177012743
N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 142226092
N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
CID 62436376

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine?
The IUPAC name of N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine (CID 114525574) is N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine?
The canonical SMILES for N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine is CCCN(CCCN(C)C)CCNC.
What is the InChIKey of N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine?
The InChIKey is YFXXYOPMTHPMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-5-8-14(11-7-12-2)10-6-9-13(3)4/h12H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine?
N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 114525574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).