4-butan-2-ylnaphthalen-1-amine

C14H17N — CID 142179577

IUPAC4-butan-2-ylnaphthalen-1-amine
SMILESCCC(C)c1ccc(N)c2ccccc12
InChIInChI=1S/C14H17N/c1-3-10(2)11-8-9-14(15)13-7-5-4-6-12(11)13/h4-10H,3,15H2,1-2H3
InChIKeyBSNDFVYWECDPJK-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.94
Rot. Bonds2

About 4-butan-2-ylnaphthalen-1-amine

4-butan-2-ylnaphthalen-1-amine (PubChem CID 142179577) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-butan-2-ylnaphthalen-1-amine.

Molecular Properties

Compound Name4-butan-2-ylnaphthalen-1-amine
PubChem CID142179577
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name4-butan-2-ylnaphthalen-1-amine
SMILESCCC(C)c1ccc(N)c2ccccc12
InChIInChI=1S/C14H17N/c1-3-10(2)11-8-9-14(15)13-7-5-4-6-12(11)13/h4-10H,3,15H2,1-2H3
InChIKeyBSNDFVYWECDPJK-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylnaphthalen-1-amine?
The IUPAC name of 4-butan-2-ylnaphthalen-1-amine (CID 142179577) is 4-butan-2-ylnaphthalen-1-amine.
What is the SMILES notation for 4-butan-2-ylnaphthalen-1-amine?
The canonical SMILES for 4-butan-2-ylnaphthalen-1-amine is CCC(C)c1ccc(N)c2ccccc12.
What is the InChIKey of 4-butan-2-ylnaphthalen-1-amine?
The InChIKey is BSNDFVYWECDPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-10(2)11-8-9-14(15)13-7-5-4-6-12(11)13/h4-10H,3,15H2,1-2H3.
What are the key properties of 4-butan-2-ylnaphthalen-1-amine?
4-butan-2-ylnaphthalen-1-amine has a molecular weight of 199.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylnaphthalen-1-amine is sourced from PubChem (CID 142179577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).