(6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid

C15H18N2O2 — CID 68764407

IUPAC(6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid
SMILESCC(C)(C)c1ccc2cc(N)ccc2c1NC(=O)O
InChIInChI=1S/C15H18N2O2/c1-15(2,3)12-7-4-9-8-10(16)5-6-11(9)13(12)17-14(18)19/h4-8,17H,16H2,1-3H3,(H,18,19)
InChIKeyZIZDIKKKEYOJNI-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.81
Rot. Bonds1

About (6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid

(6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid (PubChem CID 68764407) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid.

Molecular Properties

Compound Name(6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid
PubChem CID68764407
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid
SMILESCC(C)(C)c1ccc2cc(N)ccc2c1NC(=O)O
InChIInChI=1S/C15H18N2O2/c1-15(2,3)12-7-4-9-8-10(16)5-6-11(9)13(12)17-14(18)19/h4-8,17H,16H2,1-3H3,(H,18,19)
InChIKeyZIZDIKKKEYOJNI-UHFFFAOYSA-N
XLogP3.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid?
The IUPAC name of (6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid (CID 68764407) is (6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid.
What is the SMILES notation for (6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid?
The canonical SMILES for (6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid is CC(C)(C)c1ccc2cc(N)ccc2c1NC(=O)O.
What is the InChIKey of (6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid?
The InChIKey is ZIZDIKKKEYOJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)12-7-4-9-8-10(16)5-6-11(9)13(12)17-14(18)19/h4-8,17H,16H2,1-3H3,(H,18,19).
What are the key properties of (6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid?
(6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid has a molecular weight of 258.32 g/mol, XLogP of 3.81, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-tert-butylnaphthalen-1-yl)carbamic acid is sourced from PubChem (CID 68764407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).