7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine

C21H37N — CID 91102081

IUPAC7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine
SMILESCCC(C)C(CC(C)(C)C(C)c1ccc(C)c(C)c1)N(C)C
InChIInChI=1S/C21H37N/c1-10-15(2)20(22(8)9)14-21(6,7)18(5)19-12-11-16(3)17(4)13-19/h11-13,15,18,20H,10,14H2,1-9H3
InChIKeyNYOVHAQCZORPPA-UHFFFAOYSA-N
MW303.53 g/mol
LogP5.80
Rot. Bonds7

About 7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine

7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine (PubChem CID 91102081) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is 7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine.

Molecular Properties

Compound Name7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine
PubChem CID91102081
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine
SMILESCCC(C)C(CC(C)(C)C(C)c1ccc(C)c(C)c1)N(C)C
InChIInChI=1S/C21H37N/c1-10-15(2)20(22(8)9)14-21(6,7)18(5)19-12-11-16(3)17(4)13-19/h11-13,15,18,20H,10,14H2,1-9H3
InChIKeyNYOVHAQCZORPPA-UHFFFAOYSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-4-(3-methylpentan-2-yl)benzene
CID 54500357
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene
CID 57274293
1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905016
4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116908309
2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 79445431
4-(1-methoxypropyl)-1,2-dimethylbenzene
CID 54163976
[(1S)-1-(3,4-dimethylphenyl)propyl]azanium
CID 7176018
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
4-(1-chloro-3,3-dimethylbutyl)-1,2-dimethylbenzene
CID 63430869
3-(3,4-dimethylphenyl)-2-hydroxy-2-methylbutanoic acid
CID 79304600
1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904772

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine?
The IUPAC name of 7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine (CID 91102081) is 7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine.
What is the SMILES notation for 7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine?
The canonical SMILES for 7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine is CCC(C)C(CC(C)(C)C(C)c1ccc(C)c(C)c1)N(C)C.
What is the InChIKey of 7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine?
The InChIKey is NYOVHAQCZORPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-10-15(2)20(22(8)9)14-21(6,7)18(5)19-12-11-16(3)17(4)13-19/h11-13,15,18,20H,10,14H2,1-9H3.
What are the key properties of 7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine?
7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine has a molecular weight of 303.53 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylphenyl)-N,N,3,6,6-pentamethyloctan-4-amine is sourced from PubChem (CID 91102081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).