3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine

C18H42N4O — CID 174636607

IUPAC3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine
SMILESCC(CN(C)C)C(C)(CCN)OC(C)(CCN)C(C)CN(C)C
InChIInChI=1S/C18H42N4O/c1-15(13-21(5)6)17(3,9-11-19)23-18(4,10-12-20)16(2)14-22(7)8/h15-16H,9-14,19-20H2,1-8H3
InChIKeyWWBYQUAVSRDXPJ-UHFFFAOYSA-N
MW330.56 g/mol
LogP1.61
Rot. Bonds12

About 3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine

3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine (PubChem CID 174636607) has the molecular formula C18H42N4O and a molecular weight of 330.56 g/mol. Its IUPAC name is 3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine.

Molecular Properties

Compound Name3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine
PubChem CID174636607
Molecular FormulaC18H42N4O
Molecular Weight330.56 g/mol
Exact Mass330.34
IUPAC Name3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine
SMILESCC(CN(C)C)C(C)(CCN)OC(C)(CCN)C(C)CN(C)C
InChIInChI=1S/C18H42N4O/c1-15(13-21(5)6)17(3,9-11-19)23-18(4,10-12-20)16(2)14-22(7)8/h15-16H,9-14,19-20H2,1-8H3
InChIKeyWWBYQUAVSRDXPJ-UHFFFAOYSA-N
XLogP1.61
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine?
The IUPAC name of 3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine (CID 174636607) is 3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine.
What is the SMILES notation for 3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine?
The canonical SMILES for 3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine is CC(CN(C)C)C(C)(CCN)OC(C)(CCN)C(C)CN(C)C.
What is the InChIKey of 3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine?
The InChIKey is WWBYQUAVSRDXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4O/c1-15(13-21(5)6)17(3,9-11-19)23-18(4,10-12-20)16(2)14-22(7)8/h15-16H,9-14,19-20H2,1-8H3.
What are the key properties of 3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine?
3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine has a molecular weight of 330.56 g/mol, XLogP of 1.61, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-1-(dimethylamino)-2,3-dimethylpentan-3-yl]oxy-N,N,2,3-tetramethylpentane-1,5-diamine is sourced from PubChem (CID 174636607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).