1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine

C26H36N2 — CID 134601278

IUPAC1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine
SMILESC=C(C)CC1CCc2ccc(C(CC)c3ccc(NC)c(N)c3C)cc2C1C
InChIInChI=1S/C26H36N2/c1-7-22(23-12-13-25(28-6)26(27)18(23)5)21-11-9-19-8-10-20(14-16(2)3)17(4)24(19)15-21/h9,11-13,15,17,20,22,28H,2,7-8,10,14,27H2,1,3-6H3
InChIKeyNAJSHZOOCGZRCR-UHFFFAOYSA-N
MW376.59 g/mol
LogP6.79
Rot. Bonds6

About 1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine

1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine (PubChem CID 134601278) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine
PubChem CID134601278
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine
SMILESC=C(C)CC1CCc2ccc(C(CC)c3ccc(NC)c(N)c3C)cc2C1C
InChIInChI=1S/C26H36N2/c1-7-22(23-12-13-25(28-6)26(27)18(23)5)21-11-9-19-8-10-20(14-16(2)3)17(4)24(19)15-21/h9,11-13,15,17,20,22,28H,2,7-8,10,14,27H2,1,3-6H3
InChIKeyNAJSHZOOCGZRCR-UHFFFAOYSA-N
XLogP6.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol;methyl formate
CID 142376552
ethyl 3-[3-amino-2-methyl-4-(methylamino)phenyl]-3-[3-(chloromethyl)-4-fluorophenyl]propanoate
CID 155178977
3-[3-amino-2-methyl-4-(methylamino)phenyl]-3-[4-methyl-3-[[3-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenyl]propanoic acid
CID 145208479
7-(aminomethyl)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115057280
3-[3-amino-2-methyl-4-(methylamino)phenyl]-3-[4-methyl-3-(spiro[3,5-dihydro-1,4-benzoxazepine-2,1'-cyclobutane]-4-ylmethyl)phenyl]propanoic acid
CID 145208349
methyl 3-(3-hydroxy-2,3-dihydro-1H-inden-5-yl)-2,2-dimethyl-3-[2-methyl-4-(methylamino)-3-(2-methylhydrazinyl)phenyl]propanoate
CID 155348770
methyl 3-[3-amino-2-methyl-4-(methylamino)phenyl]-3-[3-[[carbamoyl-[(4-ethylcyclohexyl)methyl]amino]methyl]-4-methylphenyl]-2,2-dimethylpropanoate
CID 145209894
ethyl (3S)-3-(1,4-dimethylbenzotriazol-5-yl)-3-(3-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoate
CID 138592434
3-butan-2-yl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63512503
2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84632412
(3S)-3-[3-diazenyl-2-methyl-4-(methylamino)phenyl]-3-[(3R)-3-[(2R)-2-ethyl-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl]-2,3-dihydro-1H-inden-5-yl]-2,2-dimethylpropanoic acid
CID 163684801
(E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine
CID 143737552

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine?
The IUPAC name of 1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine (CID 134601278) is 1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine?
The canonical SMILES for 1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine is C=C(C)CC1CCc2ccc(C(CC)c3ccc(NC)c(N)c3C)cc2C1C.
What is the InChIKey of 1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine?
The InChIKey is NAJSHZOOCGZRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-7-22(23-12-13-25(28-6)26(27)18(23)5)21-11-9-19-8-10-20(14-16(2)3)17(4)24(19)15-21/h9,11-13,15,17,20,22,28H,2,7-8,10,14,27H2,1,3-6H3.
What are the key properties of 1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine?
1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine has a molecular weight of 376.59 g/mol, XLogP of 6.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-4-[1-[8-methyl-7-(2-methylprop-2-enyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]benzene-1,2-diamine is sourced from PubChem (CID 134601278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).