N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine

C23H47NO — CID 162521988

IUPACN-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine
SMILESC=C(CCC(C)CC)NCCC(C)(C)OCCC(C)(C)C(CC)CC
InChIInChI=1S/C23H47NO/c1-10-19(4)13-14-20(5)24-17-15-23(8,9)25-18-16-22(6,7)21(11-2)12-3/h19,21,24H,5,10-18H2,1-4,6-9H3
InChIKeyOTKYAFKPGBZZGZ-UHFFFAOYSA-N
MW353.64 g/mol
LogP6.95
Rot. Bonds15

About N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine

N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine (PubChem CID 162521988) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine.

Molecular Properties

Compound NameN-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine
PubChem CID162521988
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC NameN-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine
SMILESC=C(CCC(C)CC)NCCC(C)(C)OCCC(C)(C)C(CC)CC
InChIInChI=1S/C23H47NO/c1-10-19(4)13-14-20(5)24-17-15-23(8,9)25-18-16-22(6,7)21(11-2)12-3/h19,21,24H,5,10-18H2,1-4,6-9H3
InChIKeyOTKYAFKPGBZZGZ-UHFFFAOYSA-N
XLogP6.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine
CID 144985064
ethane;2-ethyl-N,2-dimethyl-4-[3-methyl-6-(prop-1-en-2-ylamino)hexan-3-yl]oxybutan-1-amine
CID 144918286
ethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine
CID 144985063
ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine
CID 145216621
(2S,4S)-2,4-dimethyloxane;(3R)-3,7,7-trimethyl-N-(3-methylbut-3-enyl)dec-1-en-2-amine
CID 145399817
5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine
CID 166905125
3-methyl-N-[3-(4-methylhexoxy)propyl]but-1-en-2-amine;molecular hydrogen
CID 168259297
N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine
CID 170045305
potassium N-[3-(3-ethoxy-3-methylbutoxy)butyl]-3,3,5,5-tetramethylhept-1-en-2-amine
CID 172239937
3,3,5,5-tetramethyl-N-[3-methyl-3-[3-methyl-3-(3-methylbutoxy)butoxy]butyl]hept-1-en-2-amine
CID 172240928
ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine
CID 176554641
N-[2,2-dimethyl-3-(2,2,4-trimethylpentoxy)propyl]-5-methylhex-1-en-2-amine
CID 178123000

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine?
The IUPAC name of N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine (CID 162521988) is N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine.
What is the SMILES notation for N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine?
The canonical SMILES for N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine is C=C(CCC(C)CC)NCCC(C)(C)OCCC(C)(C)C(CC)CC.
What is the InChIKey of N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine?
The InChIKey is OTKYAFKPGBZZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO/c1-10-19(4)13-14-20(5)24-17-15-23(8,9)25-18-16-22(6,7)21(11-2)12-3/h19,21,24H,5,10-18H2,1-4,6-9H3.
What are the key properties of N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine?
N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine has a molecular weight of 353.64 g/mol, XLogP of 6.95, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine is sourced from PubChem (CID 162521988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).