3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine

C16H36N2O — CID 141193438

IUPAC3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine
SMILESCCC(CCN(C)C)COCC(CC)CCN(C)C
InChIInChI=1S/C16H36N2O/c1-7-15(9-11-17(3)4)13-19-14-16(8-2)10-12-18(5)6/h15-16H,7-14H2,1-6H3
InChIKeyIYKKLFLVSIXZSP-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.96
Rot. Bonds12

About 3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine

3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine (PubChem CID 141193438) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine
PubChem CID141193438
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine
SMILESCCC(CCN(C)C)COCC(CC)CCN(C)C
InChIInChI=1S/C16H36N2O/c1-7-15(9-11-17(3)4)13-19-14-16(8-2)10-12-18(5)6/h15-16H,7-14H2,1-6H3
InChIKeyIYKKLFLVSIXZSP-UHFFFAOYSA-N
XLogP2.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
N,N,2,3-tetramethyl-4-(4-methyl-2-propan-2-ylpentoxy)butan-1-amine
CID 132202430
3-[2-(2-butoxyethoxy)ethoxymethyl]-N,N,N',N'-tetramethylpentane-1,5-diamine
CID 135235596
6-[6-(dimethylamino)-4-methylhexoxy]-N,N,3-trimethylhexan-1-amine
CID 139990772

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine?
The IUPAC name of 3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine (CID 141193438) is 3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine?
The canonical SMILES for 3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine is CCC(CCN(C)C)COCC(CC)CCN(C)C.
What is the InChIKey of 3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine?
The InChIKey is IYKKLFLVSIXZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-7-15(9-11-17(3)4)13-19-14-16(8-2)10-12-18(5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of 3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine?
3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 2.96, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-2-ethylbutoxy]methyl]-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 141193438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).