N-ethyl-N',N'-dipropylpropane-1,3-diamine

C11H26N2 — CID 19755940

IUPACN-ethyl-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCCNCC
InChIInChI=1S/C11H26N2/c1-4-9-13(10-5-2)11-7-8-12-6-3/h12H,4-11H2,1-3H3
InChIKeyGGXXYUZVXHQVKZ-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.11
Rot. Bonds9

About N-ethyl-N',N'-dipropylpropane-1,3-diamine

N-ethyl-N',N'-dipropylpropane-1,3-diamine (PubChem CID 19755940) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N-ethyl-N',N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',N'-dipropylpropane-1,3-diamine
PubChem CID19755940
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN-ethyl-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCCNCC
InChIInChI=1S/C11H26N2/c1-4-9-13(10-5-2)11-7-8-12-6-3/h12H,4-11H2,1-3H3
InChIKeyGGXXYUZVXHQVKZ-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
2-[cyanomethyl-[3-(ethylamino)propyl]amino]acetonitrile
CID 61386763
N-tert-butyl-N',N'-dipropylpropane-1,3-diamine
CID 60851501
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol
CID 87517787
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N,N'-bis(3-aminopropyl)-N'-[3-(ethylamino)propyl]heptane-1,7-diamine;pentahydrobromide
CID 158407936
N-ethyl-N',N'-dihydroxypropane-1,3-diamine
CID 87304503
N,N-dipropylbutan-1-amine;ethane;2-(ethylamino)acetaldehyde
CID 178037223
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N,N,N',N'-tetrakis[3-[bis[3-(dodecylamino)propyl]amino]propyl]butane-1,4-diamine
CID 102324687
decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine
CID 167691953

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',N'-dipropylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N',N'-dipropylpropane-1,3-diamine (CID 19755940) is N-ethyl-N',N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',N'-dipropylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N',N'-dipropylpropane-1,3-diamine is CCCN(CCC)CCCNCC.
What is the InChIKey of N-ethyl-N',N'-dipropylpropane-1,3-diamine?
The InChIKey is GGXXYUZVXHQVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-9-13(10-5-2)11-7-8-12-6-3/h12H,4-11H2,1-3H3.
What are the key properties of N-ethyl-N',N'-dipropylpropane-1,3-diamine?
N-ethyl-N',N'-dipropylpropane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 19755940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).