3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine

C14H33N3 — CID 89049269

IUPAC3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
SMILESCN(C)CCC(C)(CCN(C)C)CCN(C)C
InChIInChI=1S/C14H33N3/c1-14(8-11-15(2)3,9-12-16(4)5)10-13-17(6)7/h8-13H2,1-7H3
InChIKeyQEWJJSMESULDJP-UHFFFAOYSA-N
MW243.44 g/mol
LogP1.85
Rot. Bonds9

About 3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine

3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine (PubChem CID 89049269) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
PubChem CID89049269
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Name3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
SMILESCN(C)CCC(C)(CCN(C)C)CCN(C)C
InChIInChI=1S/C14H33N3/c1-14(8-11-15(2)3,9-12-16(4)5)10-13-17(6)7/h8-13H2,1-7H3
InChIKeyQEWJJSMESULDJP-UHFFFAOYSA-N
XLogP1.85
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-hexyl-N,N,3-trimethylnonan-1-amine
CID 167121945
N,N,N',N',3,3-hexamethylpentane-1,5-diamine
CID 143746016
N',N',2-trimethyl-2-propylbutane-1,4-diamine
CID 167480826
4-(dimethylamino)-2-methylbutan-2-ol;zirconium
CID 58881629
3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine
CID 164750438
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
4,4-difluoro-N,N,3,3-tetramethylbutan-1-amine
CID 170950191
1-N,1-N,3,4-tetramethylpentane-1,3-diamine
CID 57171035
4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol
CID 88768729
4-chloro-N,N,4-trimethylpentan-1-amine
CID 2780460
CID 88826921
CID 88826921
CID 173338058
CID 173338058

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine (CID 89049269) is 3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine is CN(C)CCC(C)(CCN(C)C)CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine?
The InChIKey is QEWJJSMESULDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-14(8-11-15(2)3,9-12-16(4)5)10-13-17(6)7/h8-13H2,1-7H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine?
3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine has a molecular weight of 243.44 g/mol, XLogP of 1.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine is sourced from PubChem (CID 89049269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).