(2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine

C20H31N — CID 107001422

IUPAC(2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine
SMILESCC1(C)CCC(C)(C)c2cc(C(N)C3CC3(C)C)ccc21
InChIInChI=1S/C20H31N/c1-18(2)9-10-19(3,4)15-11-13(7-8-14(15)18)17(21)16-12-20(16,5)6/h7-8,11,16-17H,9-10,12,21H2,1-6H3
InChIKeyWVJCGJCCDXQASO-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.08
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine

(2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine (PubChem CID 107001422) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine
PubChem CID107001422
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name(2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine
SMILESCC1(C)CCC(C)(C)c2cc(C(N)C3CC3(C)C)ccc21
InChIInChI=1S/C20H31N/c1-18(2)9-10-19(3,4)15-11-13(7-8-14(15)18)17(21)16-12-20(16,5)6/h7-8,11,16-17H,9-10,12,21H2,1-6H3
InChIKeyWVJCGJCCDXQASO-UHFFFAOYSA-N
XLogP5.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dehydroabietylamine
CID 62034
1-(1-Naphthyl)ethylamine
CID 98089
Abieta-8,11,13-trien-18-amine
CID 106831
[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
CID 118215
1-(Naphthalen-2-yl)ethan-1-amine
CID 3857145
alpha-Methyl-2-naphthaleneethanamine
CID 10219723
1-(4-Isopropylphenyl)ethanamine
CID 3728039
1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-
CID 66325
(+)-1-(1-Naphthyl)ethylamine
CID 2724264
2,5-Dimethylamphetamine
CID 115412
6-(2-Aminopropyl)tetralin
CID 14964398
1-(1-(Naphthalen-2-yl)cyclohexyl)ethanamine
CID 24860835

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine?
The IUPAC name of (2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine (CID 107001422) is (2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine is CC1(C)CCC(C)(C)c2cc(C(N)C3CC3(C)C)ccc21.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine?
The InChIKey is WVJCGJCCDXQASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-18(2)9-10-19(3,4)15-11-13(7-8-14(15)18)17(21)16-12-20(16,5)6/h7-8,11,16-17H,9-10,12,21H2,1-6H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine?
(2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine has a molecular weight of 285.48 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 107001422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).