4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine

C29H33N — CID 177161188

IUPAC4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine
SMILESCCC(C)(C)c1ccc(NCc2cc(C(C)C)cc3ccccc23)c2ccccc12
InChIInChI=1S/C29H33N/c1-6-29(4,5)27-15-16-28(26-14-10-9-13-25(26)27)30-19-23-18-22(20(2)3)17-21-11-7-8-12-24(21)23/h7-18,20,30H,6,19H2,1-5H3
InChIKeySQPSHHATJUJHNR-UHFFFAOYSA-N
MW395.59 g/mol
LogP8.42
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine

4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine (PubChem CID 177161188) has the molecular formula C29H33N and a molecular weight of 395.59 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine
PubChem CID177161188
Molecular FormulaC29H33N
Molecular Weight395.59 g/mol
Exact Mass395.26
IUPAC Name4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine
SMILESCCC(C)(C)c1ccc(NCc2cc(C(C)C)cc3ccccc23)c2ccccc12
InChIInChI=1S/C29H33N/c1-6-29(4,5)27-15-16-28(26-14-10-9-13-25(26)27)30-19-23-18-22(20(2)3)17-21-11-7-8-12-24(21)23/h7-18,20,30H,6,19H2,1-5H3
InChIKeySQPSHHATJUJHNR-UHFFFAOYSA-N
XLogP8.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine (CID 177161188) is 4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine is CCC(C)(C)c1ccc(NCc2cc(C(C)C)cc3ccccc23)c2ccccc12.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine?
The InChIKey is SQPSHHATJUJHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N/c1-6-29(4,5)27-15-16-28(26-14-10-9-13-25(26)27)30-19-23-18-22(20(2)3)17-21-11-7-8-12-24(21)23/h7-18,20,30H,6,19H2,1-5H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine?
4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine has a molecular weight of 395.59 g/mol, XLogP of 8.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine is sourced from PubChem (CID 177161188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).