N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine

C17H23N — CID 22088221

IUPACN,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine
SMILESC=C1C(C)=C(C)c2ccc(N(C)C)cc2C1(C)C
InChIInChI=1S/C17H23N/c1-11-12(2)15-9-8-14(18(6)7)10-16(15)17(4,5)13(11)3/h8-10H,3H2,1-2,4-7H3
InChIKeyJXTYXGMQRYLOHY-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.39
Rot. Bonds1

About N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine

N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine (PubChem CID 22088221) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine.

Molecular Properties

Compound NameN,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine
PubChem CID22088221
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine
SMILESC=C1C(C)=C(C)c2ccc(N(C)C)cc2C1(C)C
InChIInChI=1S/C17H23N/c1-11-12(2)15-9-8-14(18(6)7)10-16(15)17(4,5)13(11)3/h8-10H,3H2,1-2,4-7H3
InChIKeyJXTYXGMQRYLOHY-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
1,1,6-trimethyl-2,3-dimethylideneindene
CID 145331674
N,9,9-trimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 70891282
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
2,7,9,9-tetramethylfluorene
CID 22951928
N-(3,4-dimethoxyphenyl)-N,7,9,9-tetramethylfluoren-2-amine
CID 23597829
N,7,9,9-tetramethyl-N-[3-(trifluoromethyl)phenyl]fluoren-2-amine
CID 23593235
N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine
CID 88942744
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
1-[6-(dimethylamino)-10,10-dimethyl-3H-anthracen-9-yl]ethanone
CID 170787575
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449

Frequently Asked Questions

What is the IUPAC name of N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine?
The IUPAC name of N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine (CID 22088221) is N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine.
What is the SMILES notation for N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine?
The canonical SMILES for N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine is C=C1C(C)=C(C)c2ccc(N(C)C)cc2C1(C)C.
What is the InChIKey of N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine?
The InChIKey is JXTYXGMQRYLOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-11-12(2)15-9-8-14(18(6)7)10-16(15)17(4,5)13(11)3/h8-10H,3H2,1-2,4-7H3.
What are the key properties of N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine?
N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine has a molecular weight of 241.38 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5,6,8,8-hexamethyl-7-methylidenenaphthalen-2-amine is sourced from PubChem (CID 22088221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).