N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine

C11H27N3 — CID 62573813

IUPACN-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCCN(CC)CCNCCN(C)C
InChIInChI=1S/C11H27N3/c1-5-9-14(6-2)11-8-12-7-10-13(3)4/h12H,5-11H2,1-4H3
InChIKeyXBJAIBIHXKTMAA-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.87
Rot. Bonds9

About N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 62573813) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID62573813
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCCN(CC)CCNCCN(C)C
InChIInChI=1S/C11H27N3/c1-5-9-14(6-2)11-8-12-7-10-13(3)4/h12H,5-11H2,1-4H3
InChIKeyXBJAIBIHXKTMAA-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

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N-(3,3-dimethylbutyl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 62575989
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine
CID 62574418
N-(2-bromoethyl)-N',N'-dipropylethane-1,2-diamine
CID 46738413
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine
CID 106547265
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine (CID 62573813) is N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine is CCCN(CC)CCNCCN(C)C.
What is the InChIKey of N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is XBJAIBIHXKTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-5-9-14(6-2)11-8-12-7-10-13(3)4/h12H,5-11H2,1-4H3.
What are the key properties of N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-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-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 62573813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).