N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

C16H25NO2 — CID 115531971

IUPACN-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCOC(CNC1c2ccccc2CCC1(C)C)OC
InChIInChI=1S/C16H25NO2/c1-16(2)10-9-12-7-5-6-8-13(12)15(16)17-11-14(18-3)19-4/h5-8,14-15,17H,9-11H2,1-4H3
InChIKeySRHJKFUYQDVPCW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115531971) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115531971
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCOC(CNC1c2ccccc2CCC1(C)C)OC
InChIInChI=1S/C16H25NO2/c1-16(2)10-9-12-7-5-6-8-13(12)15(16)17-11-14(18-3)19-4/h5-8,14-15,17H,9-11H2,1-4H3
InChIKeySRHJKFUYQDVPCW-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
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

(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropanenitrile
CID 113329799
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol
CID 115532149
1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115531864
4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
CID 113329803
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793
4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125002
2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115532049
5-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]pentan-1-ol
CID 104577689

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (CID 115531971) is N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is COC(CNC1c2ccccc2CCC1(C)C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is SRHJKFUYQDVPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2)10-9-12-7-5-6-8-13(12)15(16)17-11-14(18-3)19-4/h5-8,14-15,17H,9-11H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115531971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).