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

C28H62N4O — CID 170695380

IUPAC3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
SMILESCCN(CC)CCC(CCN(CC)CC)COCC(CCN(CC)CC)CCN(CC)CC
InChIInChI=1S/C28H62N4O/c1-9-29(10-2)21-17-27(18-22-30(11-3)12-4)25-33-26-28(19-23-31(13-5)14-6)20-24-32(15-7)16-8/h27-28H,9-26H2,1-8H3
InChIKeyXVCJSRXYTQUAID-UHFFFAOYSA-N
MW470.83 g/mol
LogP5.16
Rot. Bonds24

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

3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine (PubChem CID 170695380) has the molecular formula C28H62N4O and a molecular weight of 470.83 g/mol. Its IUPAC name is 3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine.

Molecular Properties

Compound Name3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
PubChem CID170695380
Molecular FormulaC28H62N4O
Molecular Weight470.83 g/mol
Exact Mass470.49
IUPAC Name3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
SMILESCCN(CC)CCC(CCN(CC)CC)COCC(CCN(CC)CC)CCN(CC)CC
InChIInChI=1S/C28H62N4O/c1-9-29(10-2)21-17-27(18-22-30(11-3)12-4)25-33-26-28(19-23-31(13-5)14-6)20-24-32(15-7)16-8/h27-28H,9-26H2,1-8H3
InChIKeyXVCJSRXYTQUAID-UHFFFAOYSA-N
XLogP5.16
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6,10,13-Tetramethyl-1-oxa-6,10-diazacyclotetradecane
CID 15420794
3-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 20714783
3-(Methoxymethyl)pentyl-trimethylazanium
CID 20714785
3-(Methoxymethyl)pentyl-methyl-dipropylazanium
CID 20714788
N,N-diethyl-3-(methoxymethyl)pentan-1-amine
CID 20714790
2-[[4-(dimethylamino)-2-[(dimethylamino)methyl]butoxy]methyl]-N,N,N',N'-tetramethylbutane-1,4-diamine
CID 53785083
5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine
CID 57134781
CID 59977351
CID 59977351
N,N-diethyl-3-(methoxymethyl)pentan-1-amine;propane
CID 91392952
3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine
CID 135235596
3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine
CID 141193438
3-[[4-(dimethylamino)-2-[2-(dimethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetramethylpentane-1,5-diamine
CID 141214417

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine?
The IUPAC name of 3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine (CID 170695380) is 3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine.
What is the SMILES notation for 3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine?
The canonical SMILES for 3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine is CCN(CC)CCC(CCN(CC)CC)COCC(CCN(CC)CC)CCN(CC)CC.
What is the InChIKey of 3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine?
The InChIKey is XVCJSRXYTQUAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H62N4O/c1-9-29(10-2)21-17-27(18-22-30(11-3)12-4)25-33-26-28(19-23-31(13-5)14-6)20-24-32(15-7)16-8/h27-28H,9-26H2,1-8H3.
What are the key properties of 3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine?
3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine has a molecular weight of 470.83 g/mol, XLogP of 5.16, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)-2-[2-(diethylamino)ethyl]butoxy]methyl]-N,N,N',N'-tetraethylpentane-1,5-diamine is sourced from PubChem (CID 170695380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).