N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine

C16H36N2O — CID 59059943

IUPACN-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CCCCOCCCCN(C)C(C)C
InChIInChI=1S/C16H36N2O/c1-15(2)17(5)11-7-9-13-19-14-10-8-12-18(6)16(3)4/h15-16H,7-14H2,1-6H3
InChIKeyNAAZAIPWECGTGB-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.24
Rot. Bonds12

About N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine

N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine (PubChem CID 59059943) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine
PubChem CID59059943
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CCCCOCCCCN(C)C(C)C
InChIInChI=1S/C16H36N2O/c1-15(2)17(5)11-7-9-13-19-14-10-8-12-18(6)16(3)4/h15-16H,7-14H2,1-6H3
InChIKeyNAAZAIPWECGTGB-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine
CID 163400505
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
CID 61287527
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methylpropan-2-amine
CID 170129105
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
N-[2-(3-methoxypropoxy)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045565
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
CID 167101459
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine
CID 171588564

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine (CID 59059943) is N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine is CC(C)N(C)CCCCOCCCCN(C)C(C)C.
What is the InChIKey of N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine?
The InChIKey is NAAZAIPWECGTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-15(2)17(5)11-7-9-13-19-14-10-8-12-18(6)16(3)4/h15-16H,7-14H2,1-6H3.
What are the key properties of N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine?
N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 3.24, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 59059943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).