2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine

C17H23N — CID 65305262

IUPAC2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine
SMILESCc1ccc(CCC(C)(C)CN)c2ccccc12
InChIInChI=1S/C17H23N/c1-13-8-9-14(10-11-17(2,3)12-18)16-7-5-4-6-15(13)16/h4-9H,10-12,18H2,1-3H3
InChIKeyDKJRGEPYCSJVNJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.07
Rot. Bonds4

About 2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine

2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine (PubChem CID 65305262) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine
PubChem CID65305262
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine
SMILESCc1ccc(CCC(C)(C)CN)c2ccccc12
InChIInChI=1S/C17H23N/c1-13-8-9-14(10-11-17(2,3)12-18)16-7-5-4-6-15(13)16/h4-9H,10-12,18H2,1-3H3
InChIKeyDKJRGEPYCSJVNJ-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine (CID 65305262) is 2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine is Cc1ccc(CCC(C)(C)CN)c2ccccc12.
What is the InChIKey of 2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine?
The InChIKey is DKJRGEPYCSJVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-13-8-9-14(10-11-17(2,3)12-18)16-7-5-4-6-15(13)16/h4-9H,10-12,18H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine?
2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine is sourced from PubChem (CID 65305262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).