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

C18H27NO — CID 103931801

IUPACN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine
SMILESCC1CC(NC2c3ccccc3CCC2(C)C)CCO1
InChIInChI=1S/C18H27NO/c1-13-12-15(9-11-20-13)19-17-16-7-5-4-6-14(16)8-10-18(17,2)3/h4-7,13,15,17,19H,8-12H2,1-3H3
InChIKeyWQOJLVVWQIHBBP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.86
Rot. Bonds2

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

N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine (PubChem CID 103931801) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine
PubChem CID103931801
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine
SMILESCC1CC(NC2c3ccccc3CCC2(C)C)CCO1
InChIInChI=1S/C18H27NO/c1-13-12-15(9-11-20-13)19-17-16-7-5-4-6-14(16)8-10-18(17,2)3/h4-7,13,15,17,19H,8-12H2,1-3H3
InChIKeyWQOJLVVWQIHBBP-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxolan-3-amine
CID 82726246
2-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)oxan-4-amine
CID 154746055
4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine
CID 115532055
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 114544136
N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115532119
N-(4-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115532012
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114628980
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine
CID 82815198
2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile
CID 115532068
4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125002
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
ethane;3,3,4-trimethyl-2,4-dihydro-1H-naphthalene
CID 144627075

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine (CID 103931801) is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine is CC1CC(NC2c3ccccc3CCC2(C)C)CCO1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine?
The InChIKey is WQOJLVVWQIHBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-12-15(9-11-20-13)19-17-16-7-5-4-6-14(16)8-10-18(17,2)3/h4-7,13,15,17,19H,8-12H2,1-3H3.
What are the key properties of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine?
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine has a molecular weight of 273.42 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine is sourced from PubChem (CID 103931801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).