N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine

C15H29NO — CID 166864948

IUPACN-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine
SMILESCCNC(C)C(C)C1C(OC)=CC(C)CC1C
InChIInChI=1S/C15H29NO/c1-7-16-13(5)12(4)15-11(3)8-10(2)9-14(15)17-6/h9-13,15-16H,7-8H2,1-6H3
InChIKeyHWVPKNAJTUGTIK-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.44
Rot. Bonds5

About N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine

N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine (PubChem CID 166864948) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine
PubChem CID166864948
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine
SMILESCCNC(C)C(C)C1C(OC)=CC(C)CC1C
InChIInChI=1S/C15H29NO/c1-7-16-13(5)12(4)15-11(3)8-10(2)9-14(15)17-6/h9-13,15-16H,7-8H2,1-6H3
InChIKeyHWVPKNAJTUGTIK-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine?
The IUPAC name of N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine (CID 166864948) is N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine is CCNC(C)C(C)C1C(OC)=CC(C)CC1C.
What is the InChIKey of N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine?
The InChIKey is HWVPKNAJTUGTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-16-13(5)12(4)15-11(3)8-10(2)9-14(15)17-6/h9-13,15-16H,7-8H2,1-6H3.
What are the key properties of N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine?
N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxy-4,6-dimethylcyclohex-2-en-1-yl)butan-2-amine is sourced from PubChem (CID 166864948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).