N-butan-2-ylnaphthalen-1-amine

C14H17N — CID 43191134

IUPACN-butan-2-ylnaphthalen-1-amine
SMILESCCC(C)Nc1cccc2ccccc12
InChIInChI=1S/C14H17N/c1-3-11(2)15-14-10-6-8-12-7-4-5-9-13(12)14/h4-11,15H,3H2,1-2H3
InChIKeyPMJWYNONKLTWTK-UHFFFAOYSA-N
MW199.30 g/mol
LogP4.05
Rot. Bonds3

About N-butan-2-ylnaphthalen-1-amine

N-butan-2-ylnaphthalen-1-amine (PubChem CID 43191134) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-butan-2-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-butan-2-ylnaphthalen-1-amine
PubChem CID43191134
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-butan-2-ylnaphthalen-1-amine
SMILESCCC(C)Nc1cccc2ccccc12
InChIInChI=1S/C14H17N/c1-3-11(2)15-14-10-6-8-12-7-4-5-9-13(12)14/h4-11,15H,3H2,1-2H3
InChIKeyPMJWYNONKLTWTK-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylnaphthalen-1-amine?
The IUPAC name of N-butan-2-ylnaphthalen-1-amine (CID 43191134) is N-butan-2-ylnaphthalen-1-amine.
What is the SMILES notation for N-butan-2-ylnaphthalen-1-amine?
The canonical SMILES for N-butan-2-ylnaphthalen-1-amine is CCC(C)Nc1cccc2ccccc12.
What is the InChIKey of N-butan-2-ylnaphthalen-1-amine?
The InChIKey is PMJWYNONKLTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-11(2)15-14-10-6-8-12-7-4-5-9-13(12)14/h4-11,15H,3H2,1-2H3.
What are the key properties of N-butan-2-ylnaphthalen-1-amine?
N-butan-2-ylnaphthalen-1-amine has a molecular weight of 199.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylnaphthalen-1-amine is sourced from PubChem (CID 43191134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).