ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine

C29H37N — CID 162748645

IUPACethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine
SMILESCC.CC(C)c1cc2ccccc2cc1N.Cc1ccc2cc(C(C)C)ccc2c1
InChIInChI=1S/C14H16.C13H15N.C2H6/c1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14;1-2/h4-10H,1-3H3;3-9H,14H2,1-2H3;1-2H3
InChIKeyRSTKGXZFVNAVIV-UHFFFAOYSA-N
MW399.62 g/mol
LogP8.84
Rot. Bonds2

About ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine

ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine (PubChem CID 162748645) has the molecular formula C29H37N and a molecular weight of 399.62 g/mol. Its IUPAC name is ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine.

Molecular Properties

Compound Nameethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine
PubChem CID162748645
Molecular FormulaC29H37N
Molecular Weight399.62 g/mol
Exact Mass399.29
IUPAC Nameethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine
SMILESCC.CC(C)c1cc2ccccc2cc1N.Cc1ccc2cc(C(C)C)ccc2c1
InChIInChI=1S/C14H16.C13H15N.C2H6/c1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14;1-2/h4-10H,1-3H3;3-9H,14H2,1-2H3;1-2H3
InChIKeyRSTKGXZFVNAVIV-UHFFFAOYSA-N
XLogP8.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-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-Nitropyrene
CID 21694
2-Aminoanthracene
CID 11937
6-Nitrochrysene
CID 24121
4-Nitropyrene
CID 62134
1-Aminopyrene
CID 15352
1-Aminoanthracene
CID 11885
6-Aminochrysene
CID 17534
2-Methyl-1-naphthylamine
CID 16733
3-Aminofluoranthene
CID 17599
9-Aminophenanthrene
CID 13695
Xylidine
CID 56846457
2-Aminopyrene
CID 107762

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine?
The IUPAC name of ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine (CID 162748645) is ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine.
What is the SMILES notation for ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine?
The canonical SMILES for ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine is CC.CC(C)c1cc2ccccc2cc1N.Cc1ccc2cc(C(C)C)ccc2c1.
What is the InChIKey of ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine?
The InChIKey is RSTKGXZFVNAVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H15N.C2H6/c1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14;1-2/h4-10H,1-3H3;3-9H,14H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine?
ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine has a molecular weight of 399.62 g/mol, XLogP of 8.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine is sourced from PubChem (CID 162748645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).