N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine

C12H29N3 — CID 107441031

IUPACN'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC)CCNCC(CN)C(C)C
InChIInChI=1S/C12H29N3/c1-5-15(6-2)8-7-14-10-12(9-13)11(3)4/h11-12,14H,5-10,13H2,1-4H3
InChIKeyGFKDQXHMUSTDNH-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.15
Rot. Bonds9

About N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine

N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441031) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441031
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC)CCNCC(CN)C(C)C
InChIInChI=1S/C12H29N3/c1-5-15(6-2)8-7-14-10-12(9-13)11(3)4/h11-12,14H,5-10,13H2,1-4H3
InChIKeyGFKDQXHMUSTDNH-UHFFFAOYSA-N
XLogP1.15
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
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'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102905428
2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine
CID 65385472
N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine
CID 107442722
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
CID 107441879
2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 107440897
tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate
CID 107442949
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 55089958
2-propan-2-yl-N'-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
CID 106427205
2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 107441168
2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine
CID 65382937
N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441949
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 107441031) is N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine is CCN(CC)CCNCC(CN)C(C)C.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is GFKDQXHMUSTDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-5-15(6-2)8-7-14-10-12(9-13)11(3)4/h11-12,14H,5-10,13H2,1-4H3.
What are the key properties of N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).