N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine

C18H40N2O — CID 21049167

IUPACN-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine
SMILESCN(CCCCOCCCCN(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40N2O/c1-17(2,3)19(7)13-9-11-15-21-16-12-10-14-20(8)18(4,5)6/h9-16H2,1-8H3
InChIKeyGRQAYYADUMTRKC-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.02
Rot. Bonds10

About N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine

N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine (PubChem CID 21049167) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine
PubChem CID21049167
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC NameN-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine
SMILESCN(CCCCOCCCCN(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H40N2O/c1-17(2,3)19(7)13-9-11-15-21-16-12-10-14-20(8)18(4,5)6/h9-16H2,1-8H3
InChIKeyGRQAYYADUMTRKC-UHFFFAOYSA-N
XLogP4.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.02
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-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine
CID 164724475
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
N-tert-butyl-N,7,7-trimethyloctan-1-amine
CID 176737662
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
N,2-dimethyl-N-[2-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 21049157
N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine
CID 59059943
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405
2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol
CID 115638029
N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
CID 170257114
6-[6-(dimethylamino)hexoxy]hexan-1-ol
CID 54275825
20-[20-(diethylamino)icosoxy]-N,N-diethylicosan-1-amine
CID 87698049
2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol
CID 11470310

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine (CID 21049167) is N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine is CN(CCCCOCCCCN(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine?
The InChIKey is GRQAYYADUMTRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-17(2,3)19(7)13-9-11-15-21-16-12-10-14-20(8)18(4,5)6/h9-16H2,1-8H3.
What are the key properties of N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine?
N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine has a molecular weight of 300.53 g/mol, XLogP of 4.02, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine is sourced from PubChem (CID 21049167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).