3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine

C20H46N4O — CID 141214417

IUPAC3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine
SMILESCN(C)CCC(CCN(C)C)COCC(CCN(C)C)CCN(C)C
InChIInChI=1S/C20H46N4O/c1-21(2)13-9-19(10-14-22(3)4)17-25-18-20(11-15-23(5)6)12-16-24(7)8/h19-20H,9-18H2,1-8H3
InChIKeyOJZPQUAGSLCPJO-UHFFFAOYSA-N
MW358.62 g/mol
LogP2.04
Rot. Bonds16

About 3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine

3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine (PubChem CID 141214417) has the molecular formula C20H46N4O and a molecular weight of 358.62 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine
PubChem CID141214417
Molecular FormulaC20H46N4O
Molecular Weight358.62 g/mol
Exact Mass358.37
IUPAC Name3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine
SMILESCN(C)CCC(CCN(C)C)COCC(CCN(C)C)CCN(C)C
InChIInChI=1S/C20H46N4O/c1-21(2)13-9-19(10-14-22(3)4)17-25-18-20(11-15-23(5)6)12-16-24(7)8/h19-20H,9-18H2,1-8H3
InChIKeyOJZPQUAGSLCPJO-UHFFFAOYSA-N
XLogP2.04
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine?
The IUPAC name of 3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine (CID 141214417) is 3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine.
What is the SMILES notation for 3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine?
The canonical SMILES for 3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine is CN(C)CCC(CCN(C)C)COCC(CCN(C)C)CCN(C)C.
What is the InChIKey of 3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine?
The InChIKey is OJZPQUAGSLCPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N4O/c1-21(2)13-9-19(10-14-22(3)4)17-25-18-20(11-15-23(5)6)12-16-24(7)8/h19-20H,9-18H2,1-8H3.
What are the key properties of 3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine?
3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine has a molecular weight of 358.62 g/mol, XLogP of 2.04, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine is sourced from PubChem (CID 141214417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).