2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine

C17H40N4 — CID 59422065

IUPAC2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCCCCC(CN(C)CCN(C)C)CN(C)CCN(C)C
InChIInChI=1S/C17H40N4/c1-8-9-10-17(15-20(6)13-11-18(2)3)16-21(7)14-12-19(4)5/h17H,8-16H2,1-7H3
InChIKeyHVRKQUSNLYQJHC-UHFFFAOYSA-N
MW300.53 g/mol
LogP1.78
Rot. Bonds13

About 2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine

2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 59422065) has the molecular formula C17H40N4 and a molecular weight of 300.53 g/mol. Its IUPAC name is 2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID59422065
Molecular FormulaC17H40N4
Molecular Weight300.53 g/mol
Exact Mass300.33
IUPAC Name2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCCCCC(CN(C)CCN(C)C)CN(C)CCN(C)C
InChIInChI=1S/C17H40N4/c1-8-9-10-17(15-20(6)13-11-18(2)3)16-21(7)14-12-19(4)5/h17H,8-16H2,1-7H3
InChIKeyHVRKQUSNLYQJHC-UHFFFAOYSA-N
XLogP1.78
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine (CID 59422065) is 2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine is CCCCC(CN(C)CCN(C)C)CN(C)CCN(C)C.
What is the InChIKey of 2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is HVRKQUSNLYQJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40N4/c1-8-9-10-17(15-20(6)13-11-18(2)3)16-21(7)14-12-19(4)5/h17H,8-16H2,1-7H3.
What are the key properties of 2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine?
2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 300.53 g/mol, XLogP of 1.78, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 59422065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).