5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine

C19H25N — CID 143661183

IUPAC5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine
SMILESC=C(C)CCc1cc(C)c2ccc(N)c(C(C)C)c2c1
InChIInChI=1S/C19H25N/c1-12(2)6-7-15-10-14(5)16-8-9-18(20)19(13(3)4)17(16)11-15/h8-11,13H,1,6-7,20H2,2-5H3
InChIKeyMQQODZLHHNJXIX-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.36
Rot. Bonds4

About 5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine

5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine (PubChem CID 143661183) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine.

Molecular Properties

Compound Name5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine
PubChem CID143661183
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine
SMILESC=C(C)CCc1cc(C)c2ccc(N)c(C(C)C)c2c1
InChIInChI=1S/C19H25N/c1-12(2)6-7-15-10-14(5)16-8-9-18(20)19(13(3)4)17(16)11-15/h8-11,13H,1,6-7,20H2,2-5H3
InChIKeyMQQODZLHHNJXIX-UHFFFAOYSA-N
XLogP5.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine?
The IUPAC name of 5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine (CID 143661183) is 5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine.
What is the SMILES notation for 5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine?
The canonical SMILES for 5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine is C=C(C)CCc1cc(C)c2ccc(N)c(C(C)C)c2c1.
What is the InChIKey of 5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine?
The InChIKey is MQQODZLHHNJXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-12(2)6-7-15-10-14(5)16-8-9-18(20)19(13(3)4)17(16)11-15/h8-11,13H,1,6-7,20H2,2-5H3.
What are the key properties of 5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine?
5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine has a molecular weight of 267.42 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(3-methylbut-3-enyl)-1-propan-2-ylnaphthalen-2-amine is sourced from PubChem (CID 143661183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).