N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine

C13H31N3 — CID 162082787

IUPACN,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
SMILESCCCN(C)CCN(C)CCN(C)CCC
InChIInChI=1S/C13H31N3/c1-6-8-14(3)10-12-16(5)13-11-15(4)9-7-2/h6-13H2,1-5H3
InChIKeyZCODLHJUQUWCGJ-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.60
Rot. Bonds10

About N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine

N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine (PubChem CID 162082787) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
PubChem CID162082787
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC NameN,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
SMILESCCCN(C)CCN(C)CCN(C)CCC
InChIInChI=1S/C13H31N3/c1-6-8-14(3)10-12-16(5)13-11-15(4)9-7-2/h6-13H2,1-5H3
InChIKeyZCODLHJUQUWCGJ-UHFFFAOYSA-N
XLogP1.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propane;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 144610913
2-[methyl(propyl)amino]ethylazanium
CID 154557311
N-methyl-N-propylpropan-1-amine
CID 136915966
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
N-methyl-N-propyldecan-1-amine
CID 13122225
N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
CID 20621536
ethane;N'-methyl-N'-propylethane-1,2-diamine
CID 164863386
N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 167171519
ethene;N-ethyl-N-methylpropan-1-amine
CID 153352940
2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethanesulfonic acid
CID 89384539
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine (CID 162082787) is N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine is CCCN(C)CCN(C)CCN(C)CCC.
What is the InChIKey of N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine?
The InChIKey is ZCODLHJUQUWCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-6-8-14(3)10-12-16(5)13-11-15(4)9-7-2/h6-13H2,1-5H3.
What are the key properties of N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine?
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.60, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 162082787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).