2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine

C19H27NO — CID 66232471

IUPAC2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine
SMILESCNC(COCCC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H27NO/c1-19(2,3)12-13-21-14-18(20-4)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,18,20H,12-14H2,1-4H3
InChIKeyWVTWASCILWIMDI-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.55
Rot. Bonds6

About 2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine

2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine (PubChem CID 66232471) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine
PubChem CID66232471
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine
SMILESCNC(COCCC(C)(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H27NO/c1-19(2,3)12-13-21-14-18(20-4)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,18,20H,12-14H2,1-4H3
InChIKeyWVTWASCILWIMDI-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine
CID 112688299
2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine
CID 103487413
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine
CID 106665394
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine
CID 66234501
2-(3,3-dimethylbutoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 66232695
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
3-ethyl-N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 82923409
N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
CID 114474538
1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
CID 62814012
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
CID 64614644

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine (CID 66232471) is 2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine is CNC(COCCC(C)(C)C)c1cccc2ccccc12.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine?
The InChIKey is WVTWASCILWIMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-19(2,3)12-13-21-14-18(20-4)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,18,20H,12-14H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine?
2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 66232471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).