N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine

C18H40N2O — CID 162353474

IUPACN-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine
SMILESCC(OC(C)N(C)CCC(C)(C)C)N(C)CCC(C)(C)C
InChIInChI=1S/C18H40N2O/c1-15(19(9)13-11-17(3,4)5)21-16(2)20(10)14-12-18(6,7)8/h15-16H,11-14H2,1-10H3
InChIKeyRFHVKFHNRQXTGO-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.43
Rot. Bonds8

About N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine

N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine (PubChem CID 162353474) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine
PubChem CID162353474
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC NameN-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine
SMILESCC(OC(C)N(C)CCC(C)(C)C)N(C)CCC(C)(C)C
InChIInChI=1S/C18H40N2O/c1-15(19(9)13-11-17(3,4)5)21-16(2)20(10)14-12-18(6,7)8/h15-16H,11-14H2,1-10H3
InChIKeyRFHVKFHNRQXTGO-UHFFFAOYSA-N
XLogP4.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(diethylamino)butoxy]-N,N-diethylbutan-1-amine
CID 19822679
1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine
CID 19822684
N-[1-[1-(dipropylamino)ethoxy]ethyl]-N-propylpropan-1-amine
CID 19822688
Tripropyl-[1-[1-(tripropylazaniumyl)ethoxy]ethyl]azanium
CID 22114471
1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine
CID 22114476
Triethyl-[1-[1-(triethylazaniumyl)propoxy]propyl]azanium
CID 22114479
4-[4-(diethylamino)-2,2-dimethylbutoxy]-N,N-diethyl-3,3-dimethylbutan-1-amine
CID 88081438
4-[3-(diethylamino)-2,2-dimethylbutoxy]-N,N-diethyl-3,3-dimethylbutan-2-amine
CID 88095264
2,2-dimethyl-N-propan-2-yl-N-(1-propoxyethyl)butan-1-amine
CID 123376205
1-(3,3-dimethylbutoxy)-3,3-dimethylbutane;N-(3,3-dimethylbutyl)-N,3,3-trimethylbutan-1-amine;2,2,4,4-tetramethylpentane
CID 157137544
3,3-dimethyl-N,N-dipropylbutan-1-amine;N-(2-methoxyethyl)-N,3,3-trimethylbutan-1-amine
CID 160908929
N-[1-[1-[2,2-dimethylpropyl(methyl)amino]ethoxy]ethyl]-N,2,2-trimethylpropan-1-amine
CID 162353469

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine?
The IUPAC name of N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine (CID 162353474) is N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine is CC(OC(C)N(C)CCC(C)(C)C)N(C)CCC(C)(C)C.
What is the InChIKey of N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine?
The InChIKey is RFHVKFHNRQXTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-15(19(9)13-11-17(3,4)5)21-16(2)20(10)14-12-18(6,7)8/h15-16H,11-14H2,1-10H3.
What are the key properties of N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine?
N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine has a molecular weight of 300.53 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3,3-dimethylbutyl(methyl)amino]ethoxy]ethyl]-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 162353474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).